SCHEMBL736355

SCHEMBL736355

O=C1COC2(CCNCC2)CN1c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.38
OPRL1 P41146 2/20 0.38
SIGMAR1 Q99720 4/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.34
MAOB P27338 1/20 0.33
GRM5 P41594 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
NPY5R Q15761 1/20 0.33
MGLL Q99685 2/20 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
SCHEMBL736593 0.82 ALDH1A1 (0.50) OPRM1SIGMAR1KCNH2GRM5ALDH1A1
SCHEMBL737427 0.82 GRM5 (0.48) OPRM1OPRL1SIGMAR1KCNH2GRM5
SCHEMBL736596 0.79 SIGMAR1 (0.46) OPRM1SIGMAR1KCNH2GRM5ALDH1A1
SCHEMBL736460 0.78 TRPV4 (0.39) OPRM1OPRL1SIGMAR1GRM5
SCHEMBL735499 0.78 GRM5 (0.41) OPRM1SIGMAR1KCNH2GRM5
SCHEMBL737026 0.77 SIGMAR1 (0.47) OPRM1SIGMAR1ALDH1A1HPGDHSD17B10
SCHEMBL738043 0.75 GRM5 (0.41) OPRM1OPRL1SIGMAR1GRM5
SCHEMBL20025483 0.74 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP1A2MGLL
SCHEMBL736372 0.73 SIGMAR1 (0.37) OPRM1SIGMAR1KCNH2GRM5
SCHEMBL736367 0.72 OPRM1 (0.40) 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.