SCHEMBL9999117

SCHEMBL9999117

Cc1cc(C=CCO)cnc1C1(F)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
NAMPT P43490 2/20 0.38
GPR119 Q8TDV5 4/20 0.38
TACR1 P25103 1/20 0.38
TRPV1 Q8NER1 3/20 0.36
SYK P43405 1/20 0.36
GPR4 P46093 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
SCHEMBL12073800 1.00 ACACB (0.39) ACACBNAMPTGPR119TACR1TRPV1
SCHEMBL12073206 0.89 TRPV1 (0.42) TRPV1
SCHEMBL9999453 0.89 TRPV1 (0.42) TRPV1
SCHEMBL9998890 0.82 ACACB (0.42) ACACBNAMPTGPR119TACR1SYK
SCHEMBL9999448 0.81 TACR1 (0.39) ACACBNAMPTGPR119TACR1TRPV1
SCHEMBL12073018 0.79 TRPV1 (0.53) ACACBNAMPTGPR119TACR1TRPV1
SCHEMBL14935671 0.79 TRPV1 (0.53) ACACBNAMPTGPR119TACR1TRPV1
SCHEMBL12073799 0.79 TRPV1 (0.50) TRPV1
SCHEMBL13977509 0.77 TRPV1 (0.42) NAMPTGPR119TRPV1
SCHEMBL13977892 0.76 TRPV1 (0.62) NAMPTGPR119TRPV1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
EP-2585446-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF Shionogi&Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 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 (1 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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 ACACB 4580/4885NAMPT 897/4885GPR119 84/4885

“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.