SCHEMBL737490

SCHEMBL737490

COc1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.58
OPRM1 P35372 2/20 0.58
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 2/20 0.46
CYP3A4 P08684 2/20 0.46
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
HIF1A Q16665 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRM2 Q14416 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
SCHEMBL736984 0.90 SIGMAR1 (0.55) SIGMAR1OPRM1KMT2AMAPTMAPK1
SCHEMBL737605 0.90 SIGMAR1 (0.46) SIGMAR1OPRM1ALDH1A1SMN1; SMN2USP2
SCHEMBL738272 0.87 SIGMAR1 (0.44) SIGMAR1OPRM1ALDH1A1SMN1; SMN2USP2
SCHEMBL738280 0.86 ALDH1A1 (0.45) SIGMAR1OPRM1ALDH1A1SMN1; SMN2USP2
SCHEMBL735357 0.84 SIGMAR1 (0.61) SIGMAR1OPRM1ALDH1A1USP2GFER
SCHEMBL736260 0.84 SIGMAR1 (0.52) SIGMAR1OPRM1ALDH1A1MAPTNPSR1
SCHEMBL736347 0.84 SIGMAR1 (0.45) SIGMAR1OPRM1ALDH1A1SMN1; SMN2MAPT
SCHEMBL737103 0.83 SIGMAR1 (0.54) SIGMAR1OPRM1ALDH1A1SMN1; SMN2USP2
SCHEMBL739199 0.83 SIGMAR1 (0.50) SIGMAR1ALDH1A1KMT2AMAPT
SCHEMBL22594979 0.83 SIGMAR1 (0.80) SIGMAR1OPRM1

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 15/4885ALDH1A1 1242/4885

“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.