SCHEMBL5739760

SCHEMBL5739760

FC(F)(F)c1ccc(Nc2ncnc3cc(Br)cnc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.60
EGFR P00533 5/20 0.55
CNR1 P21554 1/20 0.46
BACE1 P56817 2/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
GAK O14976 1/20 0.43
EPHX2 P34913 1/20 0.43
KDR P35968 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CTSD P07339 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL14283168 0.87 TRPV1 (0.47) TRPV1EGFRBACE1BACE2KDR
SCHEMBL5739486 0.80 EGFR (0.63) TRPV1EGFRCNR1GAKKDR
SCHEMBL4975227 0.78 TRPV1 (0.75) TRPV1EGFREPHX2KDR
SCHEMBL4973865 0.76 TRPV1 (1.00) TRPV1
SCHEMBL4682148 0.75 BACE1 (0.46) TRPV1EGFRBACE1EPHX2KDR
SCHEMBL5740105 0.73 EGFR (0.69) TRPV1EGFRCNR1GAKEPHX2
SCHEMBL5741068 0.73 BACE1 (0.43) EGFRBACE1BACE2CTSD
SCHEMBL20406640 0.72 EGFR (0.49) EGFREPHX2FLT3
SCHEMBL6033643 0.71 TRPV1 (0.54) TRPV1EGFREPHX2
SCHEMBL18013046 0.71 EGFR (0.66) TRPV1EGFRCNR1GAKEPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1890223-A Capsaicin receptor agonists NEUROGEN CORP (US) 2007-01-03 CN claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 US claimed
EP-1678149-A2 4-AMINO(AZA)QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP claimed
WO-2005042498-A2 4-AMINO (AZA) QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2005-05-12 WO claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 US 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-20060194805-A1 Capsaicin receptor agonists TRPV1, HCAR1, CNR1 TRPV1 1/4885EGFR 3398/4885CNR1 3/4885

“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.