SCHEMBL1644203

SCHEMBL1644203

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
TRPV3 Q8NET8 2/20 0.42
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 7/20 0.37
MCHR1 Q99705 2/20 0.37

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
SCHEMBL1285102 0.90 TRPV1 (0.40) HRH3TRPV3HDAC3HDAC2PDE2A
SCHEMBL1285099 0.90 TRPV1 (0.40) HRH3TRPV3HDAC3HDAC2PDE2A
SCHEMBL1645086 0.89 HDAC3 (0.44) HRH3HDAC3HDAC2SMN1; SMN2ACACB
SCHEMBL1643367 0.88 MAPT (0.45) HRH3HDAC3HDAC2SMN1; SMN2MCHR1
SCHEMBL1645140 0.86 PTGER4 (0.44) HRH3TRPV3HDAC3HDAC2SMN1; SMN2
SCHEMBL1645116 0.86 MAP3K5 (0.44) HRH3HDAC3HDAC2SMN1; SMN2MCHR1
SCHEMBL1644375 0.85 HDAC3 (0.43) HRH3TRPV3HDAC3HDAC2PDE2A
SCHEMBL1644335 0.81 HDAC3 (0.39) HRH3HDAC3HDAC2PDE2APDE10A
SCHEMBL1645194 0.79 HDAC3 (0.41) HRH3HDAC3HDAC2SMN1; SMN2MCHR1
SCHEMBL1285342 0.79 PTGER4 (0.40) HRH3HDAC3HDAC2SMN1; SMN2ACACB

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 HRH3 556/4885TRPV3 4/4885HDAC3 239/4885

“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.