SCHEMBL5017591

SCHEMBL5017591

O=C(Nc1ccc2c(c1)CC(O)CC2)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.71
KDR P35968 2/20 0.64
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
MAPT P10636 1/20 0.52
PDK1 Q15118 1/20 0.49
EPHX2 P34913 1/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48

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
SCHEMBL5024875 0.90 TRPV1 (0.59) TRPV1KDRCA1CA2CA7
SCHEMBL5015914 0.86 TRPV1 (0.59) TRPV1KDRCA1CA2CA7
SCHEMBL5130375 0.84 TRPV1 (0.60) TRPV1KDRCA1CA2CA7
SCHEMBL5022536 0.84 TRPV1 (0.53) TRPV1KDRCA1CA2CA7
SCHEMBL5123803 0.83 TRPV1 (0.85) TRPV1KDR
SCHEMBL4332089 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL4335739 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL4343306 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL5115369 0.81 TRPV1 (0.70) TRPV1KDRRAF1BRAF
SCHEMBL5118697 0.81 TRPV1 (0.76) TRPV1KDRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687262-B1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS BAYER HEALTHCARE AG (DE) 2008-11-19 EP claimed
US-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators BAYER HEALTHCARE AG (DE) 2008-03-06 US claimed
EP-1687262-B1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS BAYER HEALTHCARE AG (DE) 2008-11-19 EP disclosed
EP-1687262-B1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS BAYER HEALTHCARE AG (DE) 2008-11-19 EP disclosed
US-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
US-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
US-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
EP-1687262-A1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS Bayer HealthCare AG (DE) 2006-08-09 EP disclosed
WO-2005044786-A1 BICYCLIC AMIDE, CARBAMATE OR UREA DERIVATIVES AS VANILLOID RECEPTOR MODULATORS BAYER HEALTHCARE AG (DE) 2005-05-19 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-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators NMUR1, CNR1, AVPR1A TRPV1 7/4885KDR 958/4885CA1 667/4885

“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.