SCHEMBL737212

SCHEMBL737212

COc1ccc(N2CCC3(CC2)CN(c2ccnc(F)c2)C(=O)CO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
OPRM1 P35372 2/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL736579 0.87 SIGMAR1 (0.40) SIGMAR1OPRM1KMT2ACYP3A4CYP2D6
SCHEMBL738272 0.84 SIGMAR1 (0.44) SIGMAR1OPRM1MAPTKMT2ACYP3A4
SCHEMBL737119 0.83 HRH3 (0.47) SIGMAR1OPRM1MAPTCYP3A4HTR1A
SCHEMBL736160 0.82 HRH3 (0.41)
SCHEMBL737490 0.81 SIGMAR1 (0.58) SIGMAR1OPRM1MAPTKMT2ACYP3A4
SCHEMBL737605 0.80 SIGMAR1 (0.46) SIGMAR1OPRM1MAPTKMT2ACYP3A4
SCHEMBL738280 0.79 ALDH1A1 (0.45) SIGMAR1OPRM1MAPTKMT2ACYP3A4
SCHEMBL738549 0.78 SIGMAR1 (0.40) SIGMAR1OPRM1
SCHEMBL736347 0.77 SIGMAR1 (0.45) SIGMAR1OPRM1MAPTRAB9AHTR1A
SCHEMBL736984 0.77 SIGMAR1 (0.55) SIGMAR1OPRM1MAPTKMT2AMEN1

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 15/4885MAPT 4377/4885

“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.