SCHEMBL1285259

SCHEMBL1285259

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(C(F)(F)F)cc(N4CCC(CO)CC4)c3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.42
ADRB2 P07550 1/20 0.37
ADRA2A P08913 1/20 0.37
HTR2C P28335 1/20 0.37
AXL P30530 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 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
SCHEMBL1285140 0.92 TRPV1 (0.40) TRPV1ADRB2ADRA2AHTR2CAXL
SCHEMBL1285264 0.92 TRPV1 (0.43) TRPV1ADRB2ADRA2AHTR2CAXL
SCHEMBL1285686 0.91 TRPV1 (0.40) TRPV1ADRB2ADRA2AHTR2CAXL
SCHEMBL1285253 0.91 TRPV1 (0.40) TRPV1ADRB2ADRA2AHTR2CAXL
SCHEMBL1285873 0.90 TRPV1 (0.40) TRPV1ADRB2ADRA2AHTR2CAXL
SCHEMBL1643371 0.90 TRPV1 (0.39) TRPV1ADRB2
SCHEMBL1285431 0.90 TRPV1 (0.39) TRPV1
SCHEMBL1285936 0.90 TRPV1 (0.39) TRPV1
SCHEMBL1644109 0.89 ADRB2 (0.47) TRPV1ADRB2ADRA2AHTR2CAXL
SCHEMBL1286035 0.89 MAPK1 (0.46) TRPV1ADRB2ADRA2AHTR2CAXL

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 5 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
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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 TRPV1 1/4885ADRB2 591/4885ADRA2A 497/4885

“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.