SCHEMBL1645194

SCHEMBL1645194

CCNc1cc(F)c([C@@H](C)NC(=O)c2ccc3nc(N4CCCC4)ccc3c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 3/20 0.41
MAPT P10636 3/20 0.39
MCHR1 Q99705 4/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAP3K5 Q99683 1/20 0.37
STK17A Q9UEE5 1/20 0.37
KDM4E B2RXH2 2/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
IDO1 P14902 1/20 0.35
KCNH2 Q12809 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
SCHEMBL1645086 0.89 HDAC3 (0.44) HDAC3HDAC2MAPTMCHR1TP53
SCHEMBL1643367 0.89 MAPT (0.45) HDAC3HDAC2MAPTMCHR1TP53
SCHEMBL1285305 0.87 HDAC3 (0.41) HDAC3HDAC2MAPTMCHR1TP53
SCHEMBL1285304 0.87 HDAC3 (0.41) HDAC3HDAC2MAPTMCHR1TP53
SCHEMBL1285679 0.87 HDAC3 (0.40) HDAC3HDAC2MAPTMCHR1TP53
SCHEMBL1284412 0.87 HDAC3 (0.40) HDAC3HDAC2MAPTMCHR1TP53
SCHEMBL1644704 0.84 BRPF1 (0.34) IDO1KCNH2
SCHEMBL1643362 0.82 MCHR1 (0.35) MAPTMCHR1
SCHEMBL1645220 0.82 PDE2A (0.36)
SCHEMBL1643380 0.82 MAPT (0.38) MAPTMCHR1TP53SMN1; SMN2

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HDAC3 239/4885HDAC2 453/4885MAPT 3251/4885

“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.