SCHEMBL736367

SCHEMBL736367

COc1ncc(N2CC3(CCNCC3)OCC2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.40
OPRL1 P41146 4/20 0.40
SIGMAR1 Q99720 3/20 0.38
KCNJ1 P48048 1/20 0.31
MAPK1 P28482 2/20 0.31
ROCK2 O75116 2/20 0.31
PRKD1 Q15139 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30

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
SCHEMBL735106 0.88 SIGMAR1 (0.39) OPRM1OPRL1SIGMAR1KCNJ1ROCK2
SCHEMBL735805 0.87 SIGMAR1 (0.36) OPRM1OPRL1SIGMAR1
SCHEMBL736045 0.85 CHRNB2 (0.44) OPRM1OPRL1SIGMAR1KCNJ1
SCHEMBL736649 0.82 OPRM1 (0.42) OPRM1OPRL1SIGMAR1
SCHEMBL736328 0.81 SIGMAR1 (0.40) OPRM1OPRL1SIGMAR1
SCHEMBL735671 0.80 CHRNB2 (0.46) OPRM1SIGMAR1
SCHEMBL737418 0.80 SIGMAR1 (0.44) OPRM1SIGMAR1MAPK1
SCHEMBL736460 0.79 TRPV4 (0.39) OPRM1OPRL1SIGMAR1KCNJ1ROCK2
SCHEMBL735954 0.78 SIGMAR1 (0.40) OPRM1OPRL1SIGMAR1ROCK2
SCHEMBL736974 0.78 SIGMAR1 (0.38) OPRM1OPRL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 OPRM1 15/4885OPRL1 33/4885SIGMAR1 11/4885

“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.