SCHEMBL1285342

SCHEMBL1285342

COC1CCN(c2ccc3cc(C(=O)N[C@H](C)c4cc(C)c(NS(C)(=O)=O)cc4F)ccc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
BRAF P15056 3/20 0.38
HDAC3 O15379 3/20 0.37
HDAC2 Q92769 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ACACB O00763 5/20 0.37
PIK3CA P42336 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1644335 0.92 HDAC3 (0.39) PTGER4TRPV1BRAFHDAC3HDAC2
SCHEMBL1285099 0.90 TRPV1 (0.40) TRPV1BRAFHDAC3HDAC2HRH3
SCHEMBL1285102 0.90 TRPV1 (0.40) TRPV1BRAFHDAC3HDAC2HRH3
SCHEMBL1285305 0.90 HDAC3 (0.41) BRAFHDAC3HDAC2HRH3SMN1; SMN2
SCHEMBL1285304 0.90 HDAC3 (0.41) BRAFHDAC3HDAC2HRH3SMN1; SMN2
SCHEMBL1285679 0.89 HDAC3 (0.40) TRPV1HDAC3HDAC2HRH3SMN1; SMN2
SCHEMBL1284412 0.89 HDAC3 (0.40) TRPV1HDAC3HDAC2HRH3SMN1; SMN2
SCHEMBL1644317 0.88 BRAF (0.41) TRPV1BRAFHDAC3HDAC2HRH3
SCHEMBL1285566 0.88 PTGER4 (0.39) PTGER4BRAFHDAC3HDAC2HRH3
SCHEMBL1285103 0.88 BRAF (0.42) TRPV1BRAFHDAC3HDAC2PIK3CA

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 4 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 claimed
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
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 PTGER4 198/4885TRPV1 1/4885BRAF 2721/4885

“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.