SCHEMBL737424

SCHEMBL737424

Cc1cccnc1N1CC2(CCNCC2)OCC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.43
SIGMAR1 Q99720 4/20 0.37
OPRM1 P35372 3/20 0.37
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL737924 0.85 OPRM1 (0.45) OPRL1SIGMAR1OPRM1MALT1
SCHEMBL4938479 0.83 EPHX2 (0.49) SIGMAR1OPRM1HSD17B10
SCHEMBL736593 0.79 ALDH1A1 (0.50) SIGMAR1OPRM1ALDH1A1HPGDHSD17B10
SCHEMBL736328 0.77 SIGMAR1 (0.40) OPRL1SIGMAR1OPRM1GRM5
SCHEMBL736596 0.76 SIGMAR1 (0.46) SIGMAR1OPRM1ALDH1A1HSD17B10GRM5
SCHEMBL735996 0.75 SIGMAR1 (0.47) OPRL1SIGMAR1OPRM1HTR7POLB
SCHEMBL737026 0.75 SIGMAR1 (0.47) SIGMAR1OPRM1ALDH1A1HPGDHSD17B10
SCHEMBL737442 0.74 SIGMAR1 (0.62) SIGMAR1OPRM1ALDH1A1HPGDHSD17B10
SCHEMBL737428 0.73 MEN1 (0.46) OPRL1SIGMAR1OPRM1
SCHEMBL736355 0.72 OPRM1 (0.38) OPRL1SIGMAR1OPRM1ALDH1A1HPGD

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 OPRL1 33/4885SIGMAR1 11/4885OPRM1 15/4885

“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.