SCHEMBL5739752

SCHEMBL5739752

FC(F)(F)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.69
EGFR P00533 8/20 0.63
TRPV1 Q8NER1 2/20 0.60
CNR2 P34972 1/20 0.55
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDR P35968 2/20 0.52
FLT1 P17948 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
TRPA1 O75762 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
TTBK1 Q5TCY1 1/20 0.51
MAPT P10636 1/20 0.51
SAE1 Q9UBE0 1/20 0.51

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
SCHEMBL5740105 0.89 EGFR (0.69) CNR1EGFRTRPV1MEN1KMT2A
SCHEMBL11090480 0.87 KDM4E (0.66) CNR1EGFRKDM4EMEN1ALDH1A1
SCHEMBL5741563 0.86 TRPV1 (0.56) CNR1EGFRTRPV1KDM4EMEN1
Hydrochloric Acid SCHEMBL11087390 0.86 KDM4E (0.64) CNR1EGFRKDM4EMEN1ALDH1A1
SCHEMBL5739486 0.84 EGFR (0.63) CNR1EGFRTRPV1KDM4EMEN1
SCHEMBL18292382 0.83 MAP4K4 (0.62) CNR1EGFRKDM4EMEN1ALDH1A1
SCHEMBL17557635 0.82 CNR1 (1.00) CNR1CNR2KDM4EMEN1ALDH1A1
SCHEMBL11091766 0.82 MAPK1 (0.62) EGFRKDM4EMEN1ALDH1A1LMNA
SCHEMBL29236930 0.82 ABCG2 (0.64) EGFRKDM4EMEN1ALDH1A1LMNA
SCHEMBL11084344 0.81 EGFR (0.70) EGFRKDM4EMEN1ALDH1A1LMNA

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 CNR1 3/4885EGFR 3398/4885TRPV1 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.