SCHEMBL15856604

SCHEMBL15856604

COC(=O)Cc1cn([C@H]2C[C@H]3CCC[C@@H](C2)N3C2CCCCCCCCC2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
OGFRL1 Q5TC84 11/20 0.42
OPRM1 P35372 11/20 0.42
OPRK1 P41145 11/20 0.42
OPRD1 P41143 9/20 0.42
OPRL1 P41146 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL17222481 1.00 KDM4E (0.43) KDM4ESIGMAR1OGFRL1OPRM1OPRK1
SCHEMBL17222482 1.00 KDM4E (0.43) KDM4ESIGMAR1OGFRL1OPRM1OPRK1
SCHEMBL17232270 0.91 OGFRL1 (0.45) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL17232245 0.88 KDM4E (0.46) KDM4ESIGMAR1OGFRL1OPRM1OPRK1
SCHEMBL17222490 0.87 OGFRL1 (0.53) KDM4EOGFRL1OPRM1OPRK1OPRD1
SCHEMBL17222491 0.87 OGFRL1 (0.53) KDM4EOGFRL1OPRM1OPRK1OPRD1
SCHEMBL15856598 0.87 OGFRL1 (0.53) KDM4EOGFRL1OPRM1OPRK1OPRD1
SCHEMBL17232256 0.86 KDM4E (0.46) KDM4EOGFRL1OPRM1OPRK1OPRD1
SCHEMBL15856601 0.84 OGFRL1 (0.50) KDM4EOGFRL1OPRM1OPRK1OPRD1
SCHEMBL24117804 0.84 OPRL1 (0.49) KDM4EOPRM1OPRK1OPRD1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963458-B2 Indole and indoline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-05-08 US disclosed
US-9963458-B2 Indole and indoline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-05-08 US disclosed
US-9963458-B2 Indole and indoline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-05-08 US disclosed
US-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-05 US disclosed
US-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-05 US disclosed
US-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-05 US disclosed
WO-2014102588-A2 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 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-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF IDO1, IDO2, TPH2 KDM4E 1140/4885SIGMAR1 448/4885OGFRL1 1203/4885

“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.