SCHEMBL496766

SCHEMBL496766

COC(=O)c1ccc(C(F)(F)F)cc1N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.48
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CFTR P13569 1/20 0.47
HCRTR1 O43613 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
SYK P43405 4/20 0.40
HCRTR2 O43614 1/20 0.39
CCRL2 O00421 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
SCHEMBL496254 0.82 CFTR (0.44) CCR2CFTRHCRTR1TAS1R3TAS1R1
SCHEMBL496014 0.81 CFTR (0.55) CCR2CFTRHCRTR1TAS1R3TAS1R1
SCHEMBL420768 0.76 CCR2 (0.49) CCR2HDAC4HDAC6HCRTR1TAS1R3
SCHEMBL420769 0.76 CCR2 (0.49) CCR2HDAC4HDAC6HCRTR1TAS1R3
SCHEMBL3898705 0.73 CCR2 (0.68) CCR2
SCHEMBL3898707 0.73 CCR2 (0.68) CCR2
SCHEMBL22853402 0.73 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2
SCHEMBL22853403 0.73 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2
SCHEMBL30294318 0.73 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2
SCHEMBL28376799 0.73 HDAC4 (0.44) HDAC4HDAC6TAS1R3TAS1R1SYK

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 CCR2 701/4885HDAC4 1369/4885HDAC6 2530/4885

“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.