SCHEMBL735357

SCHEMBL735357

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.61
OPRM1 P35372 6/20 0.61
USP2 O75604 2/20 0.40
KCNH2 Q12809 3/20 0.39
ADRA1A P35348 1/20 0.39
NPY5R Q15761 1/20 0.39
GAA P10253 2/20 0.39
DRD4 P21917 1/20 0.38
ME1 P48163 3/20 0.38
ME2 P23368 2/20 0.38
ME3 Q16798 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL736591 0.89 SIGMAR1 (0.48) SIGMAR1OPRM1GAAME1ME2
SCHEMBL737803 0.86 SIGMAR1 (0.47) SIGMAR1OPRM1USP2KCNH2ADRA1A
SCHEMBL737605 0.86 SIGMAR1 (0.46) SIGMAR1OPRM1USP2GAAALDH1A1
SCHEMBL737501 0.85 SIGMAR1 (0.45) SIGMAR1OPRM1USP2KCNH2GAA
SCHEMBL736347 0.84 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2GAAALDH1A1
SCHEMBL737490 0.84 SIGMAR1 (0.58) SIGMAR1OPRM1USP2ALDH1A1MAPK1
SCHEMBL736580 0.82 OPRM1 (0.57) SIGMAR1OPRM1KCNH2ADRA1ANPY5R
SCHEMBL22594870 0.82 SIGMAR1 (0.85) SIGMAR1OPRM1KCNH2
SCHEMBL737008 0.82 SIGMAR1 (0.42) SIGMAR1OPRM1KCNH2GAADRD4
SCHEMBL17319124 0.82 SIGMAR1 (0.85) SIGMAR1OPRM1KCNH2

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 15/4885USP2 3432/4885

“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.