SCHEMBL962895

SCHEMBL962895

Cc1sc2cnccc2c1NC(=O)OCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.45
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
VCAM1 P19320 1/20 0.43
MMP12 P39900 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAPT P10636 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL964633 0.88 TRPV1 (0.58) TRPV1ICAM1SELEMMP12MAPT
SCHEMBL965342 0.85 TRPV1 (0.44) TRPV1MAPTNAMPTMEN1CYP1A2
SCHEMBL964041 0.84 TRPV1 (0.60) TRPV1NPC1RAB9ANAMPT
SCHEMBL966737 0.76 ROCK1 (0.55) TRPV1NAMPT
SCHEMBL963621 0.71 TRPV1 (0.59) TRPV1NPC1RAB9ANAMPTMEN1
SCHEMBL962051 0.69 KDM4E (0.42) NPC1RAB9ACDK8NAMPT
SCHEMBL964600 0.68 ROCK2 (0.49) TRPV1NPC1RAB9ANAMPTMEN1
SCHEMBL5573316 0.68 TRPV1 (0.43) TRPV1NAMPT
SCHEMBL965409 0.66 IMPDH2 (0.49) TRPV1NPC1RAB9ANAMPTMEN1
SCHEMBL966476 0.66 TRPV1 (0.58) TRPV1ICAM1SELEMAPTNAMPT

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 TRPV1 1/4885ICAM1 894/4885SELE 3347/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 TRPV1 1/4885ICAM1 894/4885SELE 3347/4885

“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.