SCHEMBL5739477

SCHEMBL5739477

FC(F)(F)c1ccc2c(Nc3cc(C(F)(F)F)sn3)ncnc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.49
ABCG2 Q9UNQ0 2/20 0.46
TRPV1 Q8NER1 3/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
GAK O14976 1/20 0.41
CD38 P28907 1/20 0.38
CNR1 P21554 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL5739163 0.86 HTT (0.43) EGFRHTTCNR1
SCHEMBL5740105 0.77 EGFR (0.69) EGFRABCG2TRPV1TSHRHTT
SCHEMBL11088081 0.75 EGFR (0.69) EGFRABCG2TRPV1TSHRHTT
SCHEMBL3785366 0.74 DHODH (0.56) EGFRABCG2TRPV1TSHRHTT
Hydrochloric Acid SCHEMBL11085999 0.74 TSHR (0.70) EGFRABCG2TRPV1TSHRHTT
SCHEMBL4974487 0.70 TRPV1 (0.62) EGFRABCG2TRPV1TSHRHTT
SCHEMBL9017041 0.70 EGFR (0.63) EGFRABCG2TRPV1HTTGAK
SCHEMBL11846029 0.69 LMNA (0.51) EGFRABCG2TRPV1TSHRHTT
Hydrochloric Acid SCHEMBL11094065 0.69 EGFR (0.64) EGFRABCG2TSHRHTTGAK
SCHEMBL27461883 0.69 PARP1 (0.49) EGFRABCG2TRPV1TSHRHTT

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
CN-1890223-A Capsaicin receptor agonists NEUROGEN CORP (US) 2007-01-03 CN 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 EGFR 3398/4885ABCG2 533/4885TRPV1 1/4885

“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.