SCHEMBL1006364

SCHEMBL1006364

CCOC(=O)c1c[nH]c2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.54
KDM5B Q9UGL1 1/20 0.54
GABRA1 P14867 3/20 0.50
GABRB2 P47870 3/20 0.50
NUDT1 P36639 1/20 0.50
GABRB1 P18505 2/20 0.49
GABRA3 P34903 2/20 0.49
IMPDH2 P12268 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CLEC4M Q9H2X3 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
NR4A2 P43354 3/20 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
SCHEMBL1666167 0.91 GABRA1 (0.60) KDM5AKDM5BGABRA1GABRB2NUDT1
SCHEMBL1607800 0.84 NR4A2 (0.62) ALDH1A1KDM4ENR4A2CREBBPHASPIN
SCHEMBL31753965 0.84 NR4A2 (0.62) ALDH1A1KDM4ENR4A2CREBBPHASPIN
SCHEMBL1666100 0.82 GABRA1 (0.63) KDM5AKDM5BGABRA1GABRB2GABRB1
SCHEMBL2458677 0.81 KMT2A (0.49) KDM5AKDM5BGABRA1GABRB2NUDT1
SCHEMBL12480579 0.81 CPT1A (0.48) KDM5AIMPDH2MEN1KMT2AL3MBTL1
SCHEMBL22299985 0.80 NR4A2 (0.43) NR4A2CREBBPHASPIN
SCHEMBL730525 0.79 NR4A2 (0.69) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL3217902 0.79 HASPIN (0.64) HSD17B10KDM4EHASPIN
SCHEMBL30924488 0.79 HASPIN (0.64) HSD17B10KDM4EHASPIN

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 6 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 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 KDM5A 1271/4885KDM5B 1465/4885GABRA1 108/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 KDM5A 1271/4885KDM5B 1465/4885GABRA1 108/4885

“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.