SCHEMBL738566

SCHEMBL738566

CC(C)n1cc(N2CC3(CCNCC3)OCC2=O)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
OPRM1 P35372 2/20 0.39
KCNH2 Q12809 1/20 0.32
CASP3 P42574 1/20 0.31
CDK9 P50750 1/20 0.31
CASP7 P55210 1/20 0.31
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 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
SCHEMBL736274 0.89 SIGMAR1 (0.40) SIGMAR1OPRM1
SCHEMBL737480 0.81 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2
SCHEMBL735996 0.79 SIGMAR1 (0.47) SIGMAR1OPRM1
SCHEMBL736974 0.78 SIGMAR1 (0.38) SIGMAR1OPRM1
SCHEMBL736873 0.76 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2
SCHEMBL737026 0.76 SIGMAR1 (0.47) SIGMAR1OPRM1
SCHEMBL736328 0.76 SIGMAR1 (0.40) SIGMAR1OPRM1KCNH2
SCHEMBL737442 0.76 SIGMAR1 (0.62) SIGMAR1OPRM1KCNH2
SCHEMBL737418 0.76 SIGMAR1 (0.44) SIGMAR1OPRM1
SCHEMBL737485 0.76 SIGMAR1 (0.40) SIGMAR1OPRM1

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 15/4885KCNH2 308/4885

“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.