SCHEMBL17232247

SCHEMBL17232247

CC(=O)C(=O)c1cn([C@H]2C[C@H]3CCC[C@@H](C2)N3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 16/20 0.45
OPRL1 P41146 14/20 0.45
OPRM1 P35372 6/20 0.45
OPRK1 P41145 6/20 0.45
OPRD1 P41143 3/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL17232253 0.98 OPRL1 (0.45) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL17232250 0.92 HTR3A (0.46) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL17232274 0.90 OGFRL1 (0.48) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL17232246 0.90 KDM4E (0.52) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL15856631 0.89 MEN1 (0.48) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL15856608 0.89 OGFRL1 (0.43) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL15856602 0.88 OGFRL1 (0.48) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL17232252 0.88 KDM4E (0.52) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL15856605 0.87 MEN1 (0.46) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL15856615 0.82 OGFRL1 (0.47) OGFRL1OPRL1OPRM1OPRK1OPRD1

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 OGFRL1 1203/4885OPRL1 9/4885OPRM1 21/4885

“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.