SCHEMBL277298

SCHEMBL277298

Cc1ccc(C)c(-c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 2/20 0.48
HSP90AA1 P07900 1/20 0.48
S1PR4 O95977 1/20 0.48
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10304978 0.88 ABL1 (0.47) ACHETAAR1ESR2TNKS2MGAM
SCHEMBL10094674 0.85 ACHE (0.54) ACHESMN1; SMN2S1PR4TP53NPC1
SCHEMBL14850868 0.85 ACHE (0.54) ACHEMAPTSMN1; SMN2ALOX15NPSR1
SCHEMBL278217 0.84 S1PR4 (0.53) ACHEMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL26823517 0.81 ACHE (0.50) ACHEMAPTSMN1; SMN2ALOX15NPSR1
SCHEMBL16574087 0.81 MEN1 (0.43) ACHETHRBMEN1KMT2AALDH1A1
SCHEMBL321421 0.80 HTR7 (0.51) ACHETAAR1ESR2TNKS2MGAM
SCHEMBL11434463 0.80 MAPT (0.40) ACHEMAPTSMN1; SMN2ALOX15NPSR1
SCHEMBL18970453 0.79 ACHE (0.47) ACHEMAPTSMN1; SMN2ALOX15NPSR1
SCHEMBL24084594 0.79 PTPN1 (0.39) ACHEMAPTNPC1NFKB1CASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-15 US disclosed
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-02-25 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-07-09 US disclosed
WO-2005087737-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087738-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087763-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087735-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005087733-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203138-A1 Biphenylylaminocarbonyl-amino- or -oxypiperidine derivatives, e.g., biphenyl-2-ylcarbamic acid 1-[2-((4-[(4-hydroxybenzylamino)methyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester; treating bronchodilation, asthma and chronic obstructive pulmonary disease (COPD) THERAVANCE, INC. 2005-09-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ACHE 338/4885MAPT 2174/4885SMN1; SMN2 1975/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A ACHE 306/4885MAPT 2076/4885SMN1; SMN2 2048/4885
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885SMN1; SMN2 3175/4885
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885SMN1; SMN2 3175/4885
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 ACHE 319/4885MAPT 4275/4885SMN1; SMN2 3459/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ACHE 477/4885MAPT 2474/4885SMN1; SMN2 2100/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ACHE 338/4885MAPT 2174/4885SMN1; SMN2 1975/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885SMN1; SMN2 3175/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885SMN1; SMN2 3175/4885
US-20050203138-A1 Biphenylylaminocarbonyl-amino- or -oxypiperidine derivatives, e.g., biphenyl-2-ylcarbamic acid 1-[2-((4-[(4-hydroxybenzylamino)methyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester; treating bronchodilation, asthma and chronic obstructive pulmonary disease (COPD) CHRM1, CHRM2, CHRM3 ACHE 1233/4885MAPT 3875/4885SMN1; SMN2 3788/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 ACHE 457/4885MAPT 3700/4885SMN1; SMN2 3587/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885SMN1; SMN2 3175/4885
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 542/4885MAPT 4014/4885SMN1; SMN2 3096/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ACHE 338/4885MAPT 2174/4885SMN1; SMN2 1975/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A ACHE 328/4885MAPT 1889/4885SMN1; SMN2 2374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.