SCHEMBL963791

SCHEMBL963791

Cc1sc2cnccc2c1NC(=O)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
MAPK1 P28482 2/20 0.48
AKT3 Q9Y243 1/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
HTT P42858 1/20 0.44
IDH1 O75874 1/20 0.44
P2RX7 Q99572 3/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.41

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
SCHEMBL965634 0.88 ROCK2 (0.49) ROCK2ROCK1MAPK1
SCHEMBL966261 0.88 TRPV1 (0.42) TRPV1P2RX7
SCHEMBL967049 0.85 TRPV1 (0.55) ROCK2ROCK1MAPK1TRPV1HTT
SCHEMBL967055 0.84 NPC1 (0.52) ROCK2ROCK1MAPK1TRPV1
SCHEMBL965849 0.82 TRPV1 (0.58) ROCK2ROCK1MAPK1AKT3TRPV1
SCHEMBL962477 0.81 NPC1 (0.50) ROCK2ROCK1MAPK1
SCHEMBL962190 0.81 ROCK2 (0.51) ROCK2ROCK1MAPK1TRPV1
SCHEMBL963028 0.79 KDM4C (0.46) ROCK2ROCK1TRPV1P2RX7
SCHEMBL964090 0.79 ATG4B (0.47) ROCK2ROCK1TRPV1P2RX7
SCHEMBL966362 0.79 ROCK2 (0.49) ROCK2ROCK1MAPK1TRPV1

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 11 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
EP-1824860-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-08-29 EP disclosed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 US disclosed
WO-2006063178-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO 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 ROCK2 2602/4885ROCK1 1181/4885MAPK1 791/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 ROCK2 2602/4885ROCK1 1181/4885MAPK1 791/4885

“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.