SCHEMBL737026

SCHEMBL737026

O=C1COC2(CCNCC2)CN1c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
OPRM1 P35372 3/20 0.47
CYP2D6 P10635 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 2/20 0.42
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.31
AR P10275 1/20 0.31
FASN P49327 1/20 0.31
USP2 O75604 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL737442 0.86 SIGMAR1 (0.62) SIGMAR1OPRM1CYP2D6ALDH1A1CYP3A4
SCHEMBL736596 0.84 SIGMAR1 (0.46) SIGMAR1OPRM1ALDH1A1HSD17B10AR
SCHEMBL736873 0.83 SIGMAR1 (0.47) SIGMAR1OPRM1ALDH1A1ROCK2
SCHEMBL735996 0.83 SIGMAR1 (0.47) SIGMAR1OPRM1
SCHEMBL738549 0.82 SIGMAR1 (0.40) SIGMAR1OPRM1ROCK2
SCHEMBL737073 0.82 SIGMAR1 (0.46) SIGMAR1OPRM1CYP2D6TSHRFASN
SCHEMBL737418 0.80 SIGMAR1 (0.44) SIGMAR1OPRM1ALDH1A1CYP3A4CYP2C19
SCHEMBL738186 0.80 NPY5R (0.44) SIGMAR1OPRM1CYP2D6ALDH1A1CYP2C9
SCHEMBL735645 0.79 OPRM1 (0.44) SIGMAR1OPRM1
SCHEMBL735954 0.78 SIGMAR1 (0.40) SIGMAR1OPRM1ROCK2

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 15/4885CYP2D6 2320/4885

“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.