SCHEMBL736460

SCHEMBL736460

COc1cnc(N2CC3(CCNCC3)OCC2=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.39
KCNJ1 P48048 1/20 0.35
OPRM1 P35372 5/20 0.35
OPRL1 P41146 3/20 0.35
GRM5 P41594 1/20 0.35
SIGMAR1 Q99720 2/20 0.32
GRM4 Q14833 1/20 0.32
ROCK2 O75116 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL738043 0.83 GRM5 (0.41) KCNJ1OPRM1OPRL1GRM5SIGMAR1
SCHEMBL736045 0.83 CHRNB2 (0.44) TRPV4KCNJ1OPRM1OPRL1SIGMAR1
SCHEMBL738702 0.81 ALOX5 (0.44) KCNJ1OPRM1GRM5SIGMAR1ROCK2
SCHEMBL736367 0.79 OPRM1 (0.40) KCNJ1OPRM1OPRL1SIGMAR1ROCK2
SCHEMBL16430239 0.78 KCNJ1 (0.55) KCNJ1
SCHEMBL736355 0.78 OPRM1 (0.38) OPRM1OPRL1GRM5SIGMAR1
SCHEMBL735499 0.76 GRM5 (0.41) KCNJ1OPRM1GRM5SIGMAR1
SCHEMBL735671 0.74 CHRNB2 (0.46) OPRM1SIGMAR1CHRNB2CHRNA4
SCHEMBL736593 0.73 ALDH1A1 (0.50) OPRM1GRM5SIGMAR1
SCHEMBL737418 0.73 SIGMAR1 (0.44) OPRM1SIGMAR1

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 TRPV4 127/4885KCNJ1 595/4885OPRM1 15/4885

“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.