SCHEMBL495679

SCHEMBL495679

O=C(O)c1ccc(C(F)(F)F)nc1N[C@H]1CCCC[C@@H]1N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.37
HCRTR2 O43614 2/20 0.37
CHRNA7 P36544 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
MCOLN2 Q8IZK6 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MCOLN1 Q9GZU1 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL17363112 0.78 TLR7 (0.43) SYK
SCHEMBL495853 0.76 ALDH1A1 (0.44) SIGMAR1MCOLN2MCOLN3MCOLN1
SCHEMBL495525 0.76 ALDH1A1 (0.44) SIGMAR1MCOLN2MCOLN3MCOLN1
SCHEMBL495994 0.75 PTK2 (0.35) HCRTR1SYK
SCHEMBL15638800 0.72 PTGS2 (0.44) SYK
SCHEMBL495996 0.69 SIGMAR1 (0.48) SIGMAR1
SCHEMBL496251 0.69 SIGMAR1 (0.48) SIGMAR1
SCHEMBL495820 0.69 SIGMAR1 (0.41) CHRNA7SIGMAR1
SCHEMBL496199 0.69 PTK2 (0.47) HCRTR1HCRTR2
SCHEMBL24761059 0.69 TAS2R14 (0.44) SYK

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 HCRTR1 762/4885HCRTR2 534/4885CHRNA7 509/4885

“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.