SCHEMBL496028

SCHEMBL496028

N#Cc1ccc(C(F)(F)F)cc1N[C@@H]1CCCC[C@H]1N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.41
AR P10275 6/20 0.38
FER P16591 3/20 0.36
CDK1 P06493 1/20 0.36
TRPA1 O75762 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL496533 1.00 TAS2R14 (0.42) TAS2R14IRAK4ARFERCDK1
SCHEMBL22833433 0.85 TAS1R3 (0.44) TAS2R14ARTRPA1
SCHEMBL22853405 0.85 TAS1R3 (0.44) TAS2R14ARTRPA1
SCHEMBL30294636 0.85 TAS1R3 (0.44) TAS2R14ARTRPA1
SCHEMBL496871 0.81 TAS2R14 (0.40) TAS2R14ARTRPA1
SCHEMBL496239 0.81 TAS2R14 (0.40) TAS2R14AR
SCHEMBL2709835 0.80 IRAK4 (0.39) IRAK4FER
SCHEMBL496451 0.80 IRAK4 (0.39) IRAK4FER
SCHEMBL495554 0.79 TAS2R14 (0.40) TAS2R14ARTRPA1
SCHEMBL496874 0.78 TAS2R14 (0.37) TAS2R14ARTRPA1

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 607/4885IRAK4 2558/4885AR 398/4885

“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.