SCHEMBL1644314

SCHEMBL1644314

Cc1cc([C@@H](C)NC(=O)c2cc3ccccc3cn2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE2A O00408 9/20 0.38
CBLB Q13191 1/20 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
SCHEMBL1645191 0.85 GRN (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1285408 0.75 PDE2A (0.49) PDE2A
SCHEMBL1285409 0.75 PDE2A (0.49) PDE2A
SCHEMBL1285190 0.75 PDE2A (0.41) PDE2A
SCHEMBL1285582 0.74 PDE2A (0.46) PDE2A
SCHEMBL1285299 0.74 PDE2A (0.46) PDE2A
SCHEMBL1644450 0.74 S1PR3 (0.32) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1285137 0.74 EPHX2 (0.41) ALDH1A1
SCHEMBL1284842 0.73 PDE2A (0.44) PDE2A
SCHEMBL1284794 0.72 NPC1 (0.34) KDM4EALDH1A1HPGDHSD17B10PDE2A

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 2 patents. 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
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 MC4R 3006/4885MC5R 2397/4885MC3R 2070/4885

“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.