SCHEMBL737803

SCHEMBL737803

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
OPRM1 P35372 3/20 0.47
CYP3A4 P08684 5/20 0.39
USP2 O75604 4/20 0.39
CYP1A2 P05177 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP2D6 P10635 3/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
ADRA1A P35348 1/20 0.37
NPY5R Q15761 1/20 0.37
HIF1A Q16665 3/20 0.36
SCN9A Q15858 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
SCHEMBL736591 0.88 SIGMAR1 (0.48) SIGMAR1OPRM1MEN1KMT2ATSHR
SCHEMBL738272 0.86 SIGMAR1 (0.44) SIGMAR1OPRM1CYP3A4USP2MEN1
SCHEMBL735357 0.86 SIGMAR1 (0.61) SIGMAR1OPRM1USP2CYP1A2ALDH1A1
SCHEMBL736347 0.85 SIGMAR1 (0.45) SIGMAR1OPRM1ALDH1A1MAPTKCNH2
SCHEMBL736579 0.83 SIGMAR1 (0.40) SIGMAR1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL737501 0.81 SIGMAR1 (0.45) SIGMAR1OPRM1USP2MEN1KMT2A
SCHEMBL737008 0.80 SIGMAR1 (0.42) SIGMAR1OPRM1CYP3A4KCNH2LMNA
SCHEMBL736048 0.79 SIGMAR1 (0.46) SIGMAR1OPRM1CYP3A4USP2MEN1
SCHEMBL737260 0.79 HRH3 (0.48) SIGMAR1OPRM1CYP3A4KCNH2
SCHEMBL737605 0.78 SIGMAR1 (0.46) SIGMAR1OPRM1CYP3A4USP2KMT2A

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 15/4885CYP3A4 1187/4885

“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.