SCHEMBL736984

SCHEMBL736984

COc1ccc(N2CC3(CCN(c4ccc(OCc5ccccc5)cc4)CC3)OCC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.55
OPRM1 P35372 2/20 0.55
LMNA P02545 4/20 0.51
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MMP13 P45452 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL736260 0.93 SIGMAR1 (0.52) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL737590 0.90 SIGMAR1 (0.55) SIGMAR1OPRM1LMNAMMP13
SCHEMBL737490 0.90 SIGMAR1 (0.58) SIGMAR1OPRM1MAPTMAPK1TSHR
SCHEMBL736248 0.89 SIGMAR1 (0.48) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL738666 0.86 SIGMAR1 (0.59) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL737195 0.86 SIGMAR1 (0.44) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL738556 0.85 SIGMAR1 (0.49) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL737605 0.84 SIGMAR1 (0.46) SIGMAR1OPRM1MAPTL3MBTL1KDM4E
SCHEMBL737239 0.84 SIGMAR1 (0.44) SIGMAR1OPRM1LMNACA12CA9
SCHEMBL737024 0.83 SIGMAR1 (0.43) 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 15/4885LMNA 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.