SCHEMBL496123

SCHEMBL496123

N#Cc1ccc(C(F)(F)F)cc1N[C@H]1CCCC[C@@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNA5 P22460 1/20 0.41

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
SCHEMBL5004747 0.86 MERTK (0.43) KCNA5AXLMERTKNAE1UBA3
SCHEMBL5001209 0.86 MERTK (0.43) KCNA5AXLMERTKNAE1UBA3
SCHEMBL495678 0.82 TACR1 (0.46) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL496028 0.76 TAS2R14 (0.42) TAS2R14
SCHEMBL496533 0.76 TAS2R14 (0.42) TAS2R14
SCHEMBL22853405 0.76 TAS1R3 (0.44) TAS2R14
SCHEMBL30294636 0.76 TAS1R3 (0.44) TAS2R14
SCHEMBL22833433 0.76 TAS1R3 (0.44) TAS2R14
SCHEMBL496239 0.75 TAS2R14 (0.40) TAS2R14TSHRMAPT
SCHEMBL5009979 0.74 HSP90AA1 (0.49) AXLMERTKNAE1UBA3

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 TACR1 325/4885TAS2R14 607/4885TP53 1817/4885

“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.