SCHEMBL495853

SCHEMBL495853

O=C(O)c1ccc(C(F)(F)F)cc1N[C@H]1CCCC[C@@H]1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LIPC P11150 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
GRIK1 P39086 1/20 0.43
MCOLN2 Q8IZK6 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MCOLN1 Q9GZU1 1/20 0.41
ACLY P53396 1/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
SIGMAR1 Q99720 2/20 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
SCHEMBL495525 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10LIPC
SCHEMBL495820 0.88 SIGMAR1 (0.41) SIGMAR1
SCHEMBL30294454 0.82 TAS1R3 (0.52) ALDH1A1KDM4EHPGDHSD17B10LIPC
SCHEMBL496251 0.82 SIGMAR1 (0.48) ALDH1A1KDM4EHSD17B10GRIK1SIGMAR1
SCHEMBL22853402 0.82 TAS1R3 (0.52) ALDH1A1KDM4EHPGDHSD17B10LIPC
SCHEMBL495996 0.82 SIGMAR1 (0.48) ALDH1A1KDM4EHSD17B10GRIK1SIGMAR1
SCHEMBL30294318 0.82 TAS1R3 (0.52) ALDH1A1KDM4EHPGDHSD17B10LIPC
SCHEMBL22853403 0.82 TAS1R3 (0.52) ALDH1A1KDM4EHPGDHSD17B10LIPC
SCHEMBL497074 0.81 SIGMAR1 (0.47) ALDH1A1KDM4EHSD17B10GRIK1SIGMAR1
SCHEMBL495472 0.79 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10LIPC

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 ALDH1A1 1210/4885KDM4E 2205/4885HPGD 582/4885

“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.