SCHEMBL3969963

SCHEMBL3969963

COCCc1noc(C2CC(c3ccc(C)c(C(F)(F)F)c3)CN(C=O)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.34
FASN P49327 1/20 0.32
CNR1 P21554 1/20 0.32
F2R P25116 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
S1PR1 P21453 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3970526 0.87 CNR1 (0.34) PLATCNR1F2RTMEM97
SCHEMBL3964413 0.87 HTT (0.36) PLATFASNCNR1F2RTMEM97
SCHEMBL3974813 0.85 HDAC4 (0.33) S1PR1
SCHEMBL2954870 0.84 F2R (0.46) CNR1F2RTMEM97KCNH2
SCHEMBL3802613 0.83 CNR1 (0.34) PLATCNR1F2RTMEM97
SCHEMBL641918 0.83 F2R (0.43) FASNCNR1F2RTMEM97
SCHEMBL641145 0.82 F2R (0.44) FASNCNR1F2RTMEM97CACNA1G
SCHEMBL3963593 0.78 LMNA (0.37) CNR1F2RTMEM97KCNH2
SCHEMBL3969107 0.77 TACR1 (0.35) CNR1F2RTMEM97KCNH2
SCHEMBL15261923 0.77 F2R (0.44) CNR1F2RTMEM97

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 PLAT 1807/4885FASN 1402/4885CNR1 454/4885

“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.