SCHEMBL1645191

SCHEMBL1645191

Cc1cc([C@@H](C)NC(=O)c2cnc3ccccc3n2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
BRAF P15056 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL1644314 0.85 MC4R (0.40) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14378314 0.84 GRN (0.44) GRNSORT1NPC1RAB9AGAA
SCHEMBL1285190 0.78 PDE2A (0.41)
SCHEMBL1285409 0.78 PDE2A (0.49)
SCHEMBL1285408 0.78 PDE2A (0.49)
SCHEMBL1644450 0.77 S1PR3 (0.32) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1284842 0.77 PDE2A (0.44) BRAF
SCHEMBL1285664 0.75 PDE2A (0.40)
SCHEMBL1285023 0.75 PDE2A (0.40)
SCHEMBL1285128 0.74 MAPK1 (0.39)

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 GRN 2837/4885SORT1 4494/4885NPC1 879/4885

“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.