SCHEMBL496014

SCHEMBL496014

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.55
CCR2 P41597 2/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
KCNH2 Q12809 1/20 0.39
HCRTR1 O43613 1/20 0.39
YAP1 P46937 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL496766 0.81 CCR2 (0.48) CFTRCCR2SYKTAS1R3TAS1R1
SCHEMBL496254 0.78 CFTR (0.44) CFTRCCR2MEN1TSHRKMT2A
SCHEMBL30294454 0.75 TAS1R3 (0.52) MEN1TSHRKMT2AALDH1A1KDM4E
SCHEMBL22853402 0.75 TAS1R3 (0.52) MEN1TSHRKMT2AALDH1A1KDM4E
SCHEMBL22853403 0.75 TAS1R3 (0.52) MEN1TSHRKMT2AALDH1A1KDM4E
SCHEMBL30294318 0.75 TAS1R3 (0.52) MEN1TSHRKMT2AALDH1A1KDM4E
SCHEMBL495747 0.73 SCN10A (0.40) SYK
SCHEMBL496028 0.73 TAS2R14 (0.42)
SCHEMBL496533 0.73 TAS2R14 (0.42)
SCHEMBL495604 0.73 SYK (0.53) SYKPOLBTDP1LMNA

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 CFTR 2040/4885CCR2 701/4885MEN1 3066/4885

“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.