SCHEMBL9999448

SCHEMBL9999448

C=CCc1cnc(C2(F)CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
ACACB O00763 5/20 0.38
GPR119 Q8TDV5 4/20 0.38
NAMPT P43490 2/20 0.38
F13A1 P00488 2/20 0.37
TGM2 P21980 2/20 0.37
TGM1 P22735 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
SYK P43405 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
SCHEMBL9999144 0.90 TRPV1 (0.41) GPR119NAMPTTRPV1
SCHEMBL9999098 0.89 TRPV1 (0.41) F13A1TGM2TGM1OPRD1OPRK1
SCHEMBL12073018 0.82 TRPV1 (0.53) TACR1ACACBGPR119NAMPTTRPV1
SCHEMBL14935671 0.82 TRPV1 (0.53) TACR1ACACBGPR119NAMPTTRPV1
SCHEMBL9998890 0.81 ACACB (0.42) TACR1ACACBGPR119NAMPTSYK
SCHEMBL9999117 0.81 ACACB (0.39) TACR1ACACBGPR119NAMPTTRPV1
SCHEMBL12073800 0.81 ACACB (0.39) TACR1ACACBGPR119NAMPTTRPV1
SCHEMBL9998927 0.79 RET (0.45) GPR119F13A1TGM2TGM1
SCHEMBL3804357 0.78 TRPV1 (0.43) GPR119F13A1TGM2TGM1TRPV1
SCHEMBL12073799 0.77 TRPV1 (0.50) TRPV1

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-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
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
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 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
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 TACR1 204/4885ACACB 4580/4885GPR119 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.