SCHEMBL1644375

SCHEMBL1644375

Cc1cc(F)c([C@@H](C)NC(=O)c2ccc3nc(N4CCC(C)(F)CC4)ccc3c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.43
HDAC2 Q92769 4/20 0.43
HRH3 Q9Y5N1 2/20 0.41
PTGER4 P35408 2/20 0.39
HDAC1 Q13547 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 2/20 0.35
ACACB O00763 2/20 0.35
MEN1 O00255 1/20 0.34
KLK7 P49862 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP3K5 Q99683 2/20 0.34
STK17A Q9UEE5 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL1645140 0.95 PTGER4 (0.44) HDAC3HDAC2HRH3PTGER4HDAC1
SCHEMBL1645086 0.90 HDAC3 (0.44) HDAC3HDAC2HRH3MAPTACACB
SCHEMBL1643367 0.89 MAPT (0.45) HDAC3HDAC2HRH3MAPTTP53
SCHEMBL1645116 0.87 MAP3K5 (0.44) HDAC3HDAC2HRH3MAPTTP53
SCHEMBL1644203 0.85 HRH3 (0.42) HDAC3HDAC2HRH3ACACBSMN1; SMN2
SCHEMBL1285566 0.84 PTGER4 (0.39) HDAC3HDAC2HRH3PTGER4HDAC1
SCHEMBL1285568 0.84 PTGER4 (0.39) HDAC3HDAC2HRH3PTGER4HDAC1
SCHEMBL1284636 0.83 HDAC3 (0.42) HDAC3HDAC2HRH3PTGER4HDAC1
SCHEMBL1645194 0.80 HDAC3 (0.41) HDAC3HDAC2HRH3KCNH2MAPT
SCHEMBL1285305 0.79 HDAC3 (0.41) HDAC3HDAC2HRH3MAPTTP53

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 453/4885HRH3 556/4885

“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.