SCHEMBL736248

SCHEMBL736248

COc1ccc(N2CC3(CCN(c4ccc(OCc5ccccc5)cc4)CC3)OCC2=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
OPRM1 P35372 3/20 0.48
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRL1 P41146 1/20 0.40
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MMP13 P45452 1/20 0.38
PTPN11 Q06124 1/20 0.37
ENPP2 Q13822 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
MLLT1 Q03111 1/20 0.36

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 0.89 SIGMAR1 (0.55) SIGMAR1OPRM1LMNAMEN1KMT2A
SCHEMBL738556 0.88 SIGMAR1 (0.49) SIGMAR1OPRM1LMNAMAPTCA12
SCHEMBL737195 0.86 SIGMAR1 (0.44) SIGMAR1OPRM1LMNAMAPTCA12
SCHEMBL736260 0.86 SIGMAR1 (0.52) SIGMAR1OPRM1LMNAMAPTCA12
SCHEMBL736345 0.85 OPRM1 (0.40) SIGMAR1OPRM1OPRL1ENPP2MLLT1
SCHEMBL737590 0.83 SIGMAR1 (0.55) SIGMAR1OPRM1LMNAMMP13
SCHEMBL736875 0.83 HRH3 (0.46) SIGMAR1OPRM1MAPT
SCHEMBL737578 0.82 HRH3 (0.47) SIGMAR1OPRM1MAPT
SCHEMBL738666 0.81 SIGMAR1 (0.59) SIGMAR1OPRM1LMNAMAPTCA12
SCHEMBL737239 0.80 SIGMAR1 (0.44) SIGMAR1OPRM1LMNAMEN1KMT2A

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 15/4885LMNA 4494/4885

“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.