SCHEMBL277611

SCHEMBL277611

Cc1ccc(C)c(-c2c(F)cccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR4 O95977 2/20 0.39
PDK2 Q15119 2/20 0.39
PTGES O14684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.36
PBRM1 Q86U86 1/20 0.36
ELANE P08246 1/20 0.36
CYP2A6 P11509 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL699897 0.80 ALDH1A1 (0.46) ACHEMAPTMEN1KMT2AS1PR4
SCHEMBL31717355 0.80 ACHE (0.39) ACHEMAPTMEN1TP53KMT2A
SCHEMBL21021863 0.80 PTGES (0.43) ACHEMAPTMEN1TP53KMT2A
SCHEMBL277945 0.80 S1PR4 (0.41) ACHEMAPTMEN1TP53KMT2A
SCHEMBL31722528 0.80 TDP1 (0.45) ACHETP53ALDH1A1TDP1PBRM1
SCHEMBL278007 0.79 SMN1; SMN2 (0.45) ACHEMAPTMEN1TP53KMT2A
SCHEMBL850499 0.79 ALDH1A1 (0.37) MAPTMEN1TP53KMT2AS1PR4
SCHEMBL21021201 0.78 RAPGEF4 (0.37) MEN1TP53KMT2AS1PR4PDK2
SCHEMBL21021749 0.77 KCNH2 (0.41) ACHEMAPTMEN1KMT2APDK2
SCHEMBL277702 0.75 PBRM1 (0.44) ACHEMAPTMEN1TP53KMT2A

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 116 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-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-17 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-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-07-09 US disclosed
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-14 US disclosed
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-10-23 US disclosed
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-28 US disclosed
US-9926272-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-03-27 US disclosed
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-20 US disclosed
US-9452161-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-09-27 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-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
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists 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 (13 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-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 ACHE 319/4885MAPT 4275/4885MEN1 1011/4885
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
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 3875/4885MEN1 4578/4885
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 ACHE 457/4885MAPT 3700/4885MEN1 883/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 542/4885MAPT 4014/4885MEN1 718/4885
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ACHE 604/4885MAPT 4020/4885MEN1 747/4885

“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.