SCHEMBL736260

SCHEMBL736260

COc1cccc(N2CC3(CCN(c4ccc(OCc5ccccc5)cc4)CC3)OCC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
OPRM1 P35372 3/20 0.52
KCNH2 Q12809 1/20 0.48
LMNA P02545 3/20 0.46
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MAOB P27338 1/20 0.42
FFAR1 O14842 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PRKDC P78527 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL736984 0.93 SIGMAR1 (0.55) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL736248 0.86 SIGMAR1 (0.48) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL736347 0.86 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2LMNAALDH1A1
SCHEMBL737590 0.85 SIGMAR1 (0.55) SIGMAR1OPRM1LMNA
SCHEMBL737490 0.84 SIGMAR1 (0.58) SIGMAR1OPRM1ALDH1A1MAPTNPSR1
SCHEMBL737195 0.84 SIGMAR1 (0.44) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL17319125 0.83 SIGMAR1 (0.76) SIGMAR1OPRM1KCNH2KDM4EALDH1A1
SCHEMBL738666 0.83 SIGMAR1 (0.59) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL736452 0.82 KDM4E (0.48) SIGMAR1OPRM1KCNH2KDM4EALDH1A1
SCHEMBL738556 0.82 SIGMAR1 (0.49) SIGMAR1OPRM1LMNACA12CA9

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.