SCHEMBL737496

SCHEMBL737496

O=C1COC2(CCN(c3ccc(OCc4ccccc4)cc3)CC2)CN1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.47
SIGMAR1 Q99720 5/20 0.41
OPRM1 P35372 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MMP13 P45452 1/20 0.40
CYP2D6 P10635 1/20 0.39
LMNA P02545 3/20 0.39
KCNH2 Q12809 3/20 0.39
MCHR1 Q99705 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL735789 0.99 FASN (0.48) FASNSIGMAR1OPRM1HRH3MMP13
SCHEMBL738813 0.97 FASN (0.48) FASNSIGMAR1OPRM1HRH3MMP13
SCHEMBL737209 0.96 FASN (0.50) FASNSIGMAR1OPRM1MMP13LMNA
SCHEMBL738666 0.82 SIGMAR1 (0.59) SIGMAR1OPRM1MMP13LMNAMCHR1
SCHEMBL737742 0.82 FASN (0.50) FASNSIGMAR1OPRM1HRH3LMNA
SCHEMBL737194 0.81 SIGMAR1 (0.50) SIGMAR1OPRM1HRH3MMP13LMNA
SCHEMBL738663 0.81 FASN (0.51) FASNSIGMAR1OPRM1HRH3MAPT
SCHEMBL739140 0.81 MAPT (0.45) SIGMAR1OPRM1MMP13LMNAMAPT
SCHEMBL737239 0.81 SIGMAR1 (0.44) SIGMAR1OPRM1MMP13LMNAMCHR1
SCHEMBL737024 0.80 SIGMAR1 (0.43) SIGMAR1OPRM1MMP13LMNAKCNH2

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 FASN 4745/4885SIGMAR1 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.