SCHEMBL277907

SCHEMBL277907

COc1ccccc1-c1cc(C)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.59
GAA P10253 2/20 0.47
ACHE P22303 1/20 0.47
APP P05067 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MDM2 Q00987 1/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL3857605 0.86 ACHE (0.58) HTR7GAAACHEALDH1A1SMN1; SMN2
SCHEMBL14850872 0.85 AKR1C3 (0.55) HTR7GAAACHEAPPCA12
SCHEMBL3958057 0.85 ACHE (0.52) HTR7GAAACHEALDH1A1SMN1; SMN2
SCHEMBL5184745 0.84 ACHE (0.56) HTR7GAAACHEAPPCA12
SCHEMBL11281941 0.83 HTR7 (0.58) HTR7APPCA12CA1CA2
SCHEMBL10094682 0.83 HTR7 (0.58) HTR7APPCA12CA1CA2
SCHEMBL18083450 0.81 ACHE (0.44) HTR7GAAACHEAPPCA12
SCHEMBL321430 0.81 CA1 (0.55) HTR7APPCA12CA1CA2
SCHEMBL13069497 0.81 ACHE (0.52) HTR7GAAACHEALDH1A1SMN1; SMN2
SCHEMBL277877 0.80 S1PR1 (0.48) HTR7ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013152-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-06 US claimed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US claimed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US claimed
EP-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP claimed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO claimed
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-14 US claimed
EP-0187520-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP claimed
US-4777248-A Water-soluble non-reactive triazinyl mono-azo dye for ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-11 US claimed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 EP claimed
US-11912916-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-02-27 US disclosed
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-15 US disclosed
US-20210363419-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-11-25 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
WO-1995017471-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed
WO-1995017472-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed
EP-0187520-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP disclosed
US-4777248-A Water-soluble non-reactive triazinyl mono-azo dye for ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-11 US disclosed
US-4726844-A LIGHTFASTNESS CANON KABUSHIKI KAISHA (JP) 1988-02-23 US disclosed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 EP 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 (5 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-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A HTR7 319/4885GAA 3449/4885ACHE 306/4885
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 HTR7 270/4885GAA 4761/4885ACHE 604/4885
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 HTR7 164/4885GAA 4481/4885ACHE 344/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B HTR7 606/4885GAA 2954/4885ACHE 477/4885
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM3, CHRM5 HTR7 164/4885GAA 4481/4885ACHE 344/4885

“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.