SCHEMBL277912

SCHEMBL277912

COc1cccc(-c2cc(C)ccc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
MAOB P27338 3/20 0.54
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALKBH3 Q96Q83 1/20 0.48
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2E1 P05181 2/20 0.47

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
SCHEMBL12687096 0.89 CYP1A1 (0.55) ACHEMAOBALDH1A1RAB9ACYP1A1
SCHEMBL14850870 0.86 ACHE (0.57) ACHEMAOBALDH1A1TP53SMN1; SMN2
SCHEMBL30728871 0.84 ACHE (0.55) ACHEMAOBALDH1A1TP53SMN1; SMN2
SCHEMBL7875685 0.84 ACHE (0.55) ACHEMAOBALDH1A1TP53SMN1; SMN2
SCHEMBL24061160 0.83 ACHE (0.53) ACHEMAOBALDH1A1TP53SMN1; SMN2
SCHEMBL18087561 0.83 ACHE (0.53) ACHEMAOBALDH1A1TP53SMN1; SMN2
SCHEMBL16574039 0.83 MAOB (0.53) ACHEMAOBALDH1A1TP53SMN1; SMN2
SCHEMBL10094666 0.83 ABL1 (0.51) ACHEMAOBALDH1A1HSD17B10CYP1A1
SCHEMBL24017181 0.81 CYP3A4 (0.50) ACHEMAOBALDH1A1CYP1A1CYP1A2
SCHEMBL321834 0.81 CASR (0.57) ACHEMAOBALDH1A1TDP1CYP1A1

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 338/4885MAOB 523/4885ALDH1A1 1263/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A ACHE 306/4885MAOB 605/4885ALDH1A1 1282/4885
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAOB 313/4885ALDH1A1 1082/4885
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAOB 313/4885ALDH1A1 1082/4885
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 ACHE 319/4885MAOB 193/4885ALDH1A1 826/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ACHE 477/4885MAOB 485/4885ALDH1A1 1382/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ACHE 338/4885MAOB 523/4885ALDH1A1 1263/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAOB 313/4885ALDH1A1 1082/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAOB 313/4885ALDH1A1 1082/4885
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 1233/4885MAOB 217/4885ALDH1A1 828/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 ACHE 457/4885MAOB 279/4885ALDH1A1 1070/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ACHE 604/4885MAOB 313/4885ALDH1A1 1082/4885
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 542/4885MAOB 326/4885ALDH1A1 1081/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ACHE 338/4885MAOB 523/4885ALDH1A1 1263/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A ACHE 328/4885MAOB 635/4885ALDH1A1 1297/4885

“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.