SCHEMBL736328

SCHEMBL736328

Cc1ccc(N2CC3(CCNCC3)OCC2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
OPRM1 P35372 4/20 0.40
ELANE P08246 1/20 0.36
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK4 P11802 4/20 0.34
OPRL1 P41146 3/20 0.33
USP28 Q96RU2 1/20 0.33
GRM5 P41594 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SSTR5 P35346 1/20 0.31
MCHR1 Q99705 2/20 0.31
GRM4 Q14833 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
SCHEMBL735954 0.85 SIGMAR1 (0.40) SIGMAR1OPRM1CDK4OPRL1GRM5
SCHEMBL736974 0.85 SIGMAR1 (0.38) SIGMAR1OPRM1CDK4OPRL1GRM5
SCHEMBL736045 0.85 CHRNB2 (0.44) SIGMAR1OPRM1KCNH2OPRL1CHRNB2
SCHEMBL735996 0.83 SIGMAR1 (0.47) SIGMAR1OPRM1OPRL1
SCHEMBL736268 0.82 CDK4 (0.45) SIGMAR1OPRM1ELANEKCNH2CDK4
SCHEMBL736972 0.82 OPRL1 (0.43) SIGMAR1OPRM1KCNH2OPRL1SSTR5
SCHEMBL736596 0.81 SIGMAR1 (0.46) SIGMAR1OPRM1KCNH2GRM5CHRNB2
SCHEMBL736367 0.81 OPRM1 (0.40) SIGMAR1OPRM1OPRL1
SCHEMBL4941184 0.80 SIGMAR1 (0.36) SIGMAR1OPRM1OPRL1CHRNB2CHRNA4
SCHEMBL735106 0.79 SIGMAR1 (0.39) SIGMAR1OPRM1OPRL1CHRNB2CHRNA4

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 SIGMAR1 11/4885OPRM1 15/4885ELANE 2769/4885

“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.