SCHEMBL736411

SCHEMBL736411

Cn1ccc(N2CC3(CCNCC3)OC2=O)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KCNJ1 P48048 1/20 0.35
NPY5R Q15761 4/20 0.34
KCNH2 Q12809 3/20 0.34
ADRA1A P35348 2/20 0.34
CDK4 P11802 4/20 0.33
SSTR5 P35346 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL13952000 0.86 GRM5 (0.49) GRM5OPRM1SIGMAR1KCNJ1NPY5R
SCHEMBL17723613 0.83 KCNJ1 (0.48) GRM5OPRM1SIGMAR1KCNJ1NPY5R
SCHEMBL736372 0.82 SIGMAR1 (0.37) GRM5OPRM1SIGMAR1KCNH2DDB1
SCHEMBL3741302 0.82 HSD11B1 (0.42) GRM5NPY5R
SCHEMBL3741297 0.82 HSD11B1 (0.42) GRM5NPY5R
SCHEMBL3742257 0.80 GRM5 (0.37) GRM5KCNJ1NPY5RKCNH2ADRA1A
SCHEMBL3748343 0.80 GRM5 (0.37) GRM5KCNJ1NPY5RKCNH2ADRA1A
SCHEMBL3747817 0.79 HSD11B1 (0.42) GRM5OPRM1SIGMAR1KCNJ1NPY5R
SCHEMBL3747815 0.79 HSD11B1 (0.42) GRM5OPRM1SIGMAR1KCNJ1NPY5R
SCHEMBL738190 0.75 NPY5R (0.52) GRM5NPY5RKCNH2ADRA1A

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 GRM5 263/4885OPRM1 15/4885SIGMAR1 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.