SCHEMBL962477

SCHEMBL962477

Cc1ccc(C)c(CNC(=O)Nc2c(C)sc3cnccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4C Q9H3R0 1/20 0.46
MAPK1 P28482 1/20 0.40
NAMPT P43490 5/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KA3 P51812 1/20 0.37
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
SCHEMBL962190 0.87 ROCK2 (0.51) NPC1RAB9AMAPK1NAMPTCYP2C9
SCHEMBL964600 0.84 ROCK2 (0.49) NPC1RAB9ANAMPTROCK2ROCK1
SCHEMBL966705 0.84 NAMPT (0.44) NAMPTROCK2ROCK1RPS6KB1GSK3B
SCHEMBL963028 0.83 KDM4C (0.46) NPC1RAB9AKDM4CNAMPTCYP2C9
SCHEMBL963778 0.83 ROCK2 (0.53) NPC1RAB9ANAMPTROCK2ROCK1
SCHEMBL963791 0.81 ROCK2 (0.51) MAPK1ROCK2ROCK1
SCHEMBL964090 0.81 ATG4B (0.47) NPC1RAB9ANAMPTCYP2C9ROCK2
SCHEMBL965634 0.81 ROCK2 (0.49) NPC1RAB9AMAPK1NAMPTCYP2C9
SCHEMBL966362 0.81 ROCK2 (0.49) RAB9AMAPK1NAMPTCYP2C9ROCK2
SCHEMBL965409 0.80 IMPDH2 (0.49) NPC1RAB9ANAMPTROCK2ROCK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US claimed
US-7875627-B2 e.g.1-(4-Chloro-benzyl)-3-(2-methyl-thieno[2,3-c]pyridin-3-yl)-urea; 2-Methyl-thieno[2,3-c]pyridin-3-yl)-carbamic acid 4-trifluoromethylsulfanyl-benzyl ester; controlling pain, urinary incontinence, bladder overactivity, and inflammatory thermal hyperalgesia in mammals ABBOTT LABORATORIES (US) 2011-01-25 US claimed
EP-1824860-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-08-29 EP claimed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 US claimed
WO-2006063178-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO claimed
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7875627-B2 e.g.1-(4-Chloro-benzyl)-3-(2-methyl-thieno[2,3-c]pyridin-3-yl)-urea; 2-Methyl-thieno[2,3-c]pyridin-3-yl)-carbamic acid 4-trifluoromethylsulfanyl-benzyl ester; controlling pain, urinary incontinence, bladder overactivity, and inflammatory thermal hyperalgesia in mammals ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 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 (2 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-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof TRPV1, GPR55, P2RX6 NPC1 4532/4885RAB9A 2660/4885KDM4C 2494/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 NPC1 4532/4885RAB9A 2660/4885KDM4C 2494/4885

“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.