SCHEMBL6583533

SCHEMBL6583533

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)c2ccc(O)cc12

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.77
KDR P35968 2/20 0.67
CA9 Q16790 5/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA7 P43166 4/20 0.54
PDK1 Q15118 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 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
SCHEMBL6586572 0.91 TRPV1 (0.64) TRPV1KDRCA9CA1CA2
SCHEMBL6580902 0.90 TRPV1 (0.72) TRPV1KDRCA9CA1CA2
SCHEMBL6670457 0.90 TRPV1 (0.72) TRPV1KDRCA9CA1CA2
SCHEMBL6584798 0.87 TRPV1 (1.00) TRPV1KDRCA9CA1CA2
SCHEMBL6582498 0.85 TRPV1 (0.70) TRPV1KDRCA9CA1CA2
SCHEMBL281864 0.83 KDR (0.85) TRPV1KDRCA9CA1CA2
SCHEMBL6583331 0.82 TRPV1 (0.61) TRPV1KDRCA9CA1CA2
SCHEMBL118026 0.82 KDR (1.00) TRPV1KDRCA9CA1CA2
SCHEMBL29364392 0.82 KDR (1.00) TRPV1KDRCA9CA1CA2
SCHEMBL26697308 0.80 KDR (0.74) TRPV1KDRCA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US claimed
WO-2004028440-A2 VR1 ANTAGONISTS FOR THE TREATMENT OF UROLOGICAL DISORDERS BAYER HEALTHCARE AG (DE) 2004-04-08 WO claimed
US-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2004028440-A2 VR1 ANTAGONISTS FOR THE TREATMENT OF UROLOGICAL DISORDERS BAYER HEALTHCARE AG (DE) 2004-04-08 WO disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 WO 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-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 TRPV1 14/4885KDR 615/4885CA9 3633/4885

“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.