SCHEMBL738280

SCHEMBL738280

COc1ccc(N2CCC3(CC2)CN(c2ccccc2F)C(=O)CO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SIGMAR1 Q99720 5/20 0.43
OPRM1 P35372 3/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 5/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR1A P08908 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCOLN3 Q8TDD5 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
SCHEMBL737501 0.86 SIGMAR1 (0.45) ALDH1A1SIGMAR1OPRM1GAAMAPT
SCHEMBL737490 0.86 SIGMAR1 (0.58) ALDH1A1SIGMAR1OPRM1MAPTTP53
SCHEMBL738272 0.82 SIGMAR1 (0.44) ALDH1A1SIGMAR1OPRM1MAPTLMNA
SCHEMBL735778 0.81 HRH3 (0.49) ALDH1A1SIGMAR1OPRM1GAAMAPT
SCHEMBL737605 0.81 SIGMAR1 (0.46) ALDH1A1SIGMAR1OPRM1GAAMAPT
SCHEMBL736984 0.79 SIGMAR1 (0.55) SIGMAR1OPRM1MAPTLMNAMEN1
SCHEMBL737212 0.79 SIGMAR1 (0.39) ALDH1A1SIGMAR1OPRM1GAAMAPT
SCHEMBL739199 0.79 SIGMAR1 (0.50) ALDH1A1SIGMAR1MAPTLMNAMEN1
SCHEMBL735769 0.76 HTR1A (0.46) ALDH1A1SIGMAR1GAALMNAHTR1A
SCHEMBL736347 0.75 SIGMAR1 (0.45) ALDH1A1SIGMAR1OPRM1GAAMAPT

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 ALDH1A1 1242/4885SIGMAR1 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.