SCHEMBL1857006

SCHEMBL1857006

CC(C)(C#N)c1ccc2c(c1)CCC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PGR P06401 2/20 0.46
GRM5 P41594 2/20 0.44
HSD17B1 P14061 3/20 0.42
MAOB P27338 5/20 0.38
DHODH Q02127 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAOA P21397 1/20 0.38
PRKCI P41743 1/20 0.38
PBRM1 Q86U86 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35

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
SCHEMBL30382651 0.80 CASP1 (0.55) CASP1CASP7HSD17B10PGRGRM5
SCHEMBL85043 0.80 CASP1 (0.55) CASP1CASP7HSD17B10PGRGRM5
SCHEMBL1726500 0.80 PARP10 (0.55) GRM5
SCHEMBL28363380 0.77 CASP1 (0.52) CASP1CASP7HSD17B10PGRGRM5
SCHEMBL13186636 0.75 PARP10 (0.36) GRM5DHODHCYP11B1CYP11B2
SCHEMBL14163813 0.75 NPC1 (0.54) CASP1CASP7HSD17B10PGRGRM5
SCHEMBL2388879 0.73 CASP1 (0.55) CASP1CASP7HSD17B10GRM5HSD17B1
SCHEMBL10627415 0.72 MAOA (0.56) CASP1CASP7HSD17B10PGRGRM5
SCHEMBL1031985 0.72 GRM5 (0.62) CASP1CASP7HSD17B10PGRGRM5
SCHEMBL29741348 0.72 GRM5 (0.62) CASP1CASP7HSD17B10PGRGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
CN-102617464-A fused compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor ABBOTT LAB 2012-08-01 CN disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 EP disclosed
CN-101445501-A Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2009-06-03 CN disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
CN-1835924-A Fused compounds that inhibit vanilloid receptor subtype 1(vr1) receptor ABBOTT LAB (US) 2006-09-20 CN disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 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 (3 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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 CASP1 725/4885CASP7 2750/4885HSD17B10 2590/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 CASP1 678/4885CASP7 2692/4885HSD17B10 2652/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 CASP1 725/4885CASP7 2750/4885HSD17B10 2590/4885

“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.