SCHEMBL17232256

SCHEMBL17232256

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 18/20 0.42
OPRK1 P41145 17/20 0.42
OGFRL1 Q5TC84 17/20 0.42
OPRD1 P41143 15/20 0.42
OPRL1 P41146 4/20 0.42

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
SCHEMBL17232245 0.98 KDM4E (0.46) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL17232254 0.91 OGFRL1 (0.46) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL15856601 0.90 OGFRL1 (0.50) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL17232248 0.88 OPRL1 (0.46) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL17232255 0.88 OGFRL1 (0.45) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL15856598 0.87 OGFRL1 (0.53) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL17222491 0.87 OGFRL1 (0.53) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL17222490 0.87 OGFRL1 (0.53) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL17222482 0.86 KDM4E (0.43) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL17222481 0.86 KDM4E (0.43) KDM4EMEN1KMT2AOPRM1OPRK1

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 2 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-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-05 US 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 1140/4885MEN1 4486/4885KMT2A 1870/4885

“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.