SCHEMBL496874

SCHEMBL496874

CCN(C)[C@@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.37
SCN9A Q15858 1/20 0.37
CCR2 P41597 1/20 0.35
AR P10275 7/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
TRPA1 O75762 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL495554 0.90 TAS2R14 (0.40) TAS2R14ARTSHRMAPTTRPA1
SCHEMBL496871 0.89 TAS2R14 (0.40) TAS2R14SCN9AARTRPA1
SCHEMBL496239 0.82 TAS2R14 (0.40) TAS2R14CCR2ARTSHRMAPT
SCHEMBL30294636 0.80 TAS1R3 (0.44) TAS2R14ARTRPA1
SCHEMBL22833433 0.80 TAS1R3 (0.44) TAS2R14ARTRPA1
SCHEMBL22853405 0.80 TAS1R3 (0.44) TAS2R14ARTRPA1
SCHEMBL496028 0.78 TAS2R14 (0.42) TAS2R14ARTRPA1
SCHEMBL496533 0.78 TAS2R14 (0.42) TAS2R14ARTRPA1
SCHEMBL496123 0.72 TACR1 (0.45) TAS2R14MEN1KMT2AHSD17B10TSHR
SCHEMBL22853012 0.70 TAS2R14 (0.39) TAS2R14CCR2TSHR

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
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 TAS2R14 607/4885SCN9A 333/4885CCR2 701/4885

“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.