SCHEMBL5472152

SCHEMBL5472152

CCCCC(N)c1nc(C(F)(F)F)ccc1CN

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
TRPV1 Q8NER1 10/20 0.33
PTGS2 P35354 2/20 0.32
TKT P29401 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL2532325 0.76 TRPV1 (0.47) PTGS1TRPV1PTGS2
SCHEMBL14797719 0.72 TRPV1 (0.42) PTGS1TRPV1PTGS2TKTTLR8
SCHEMBL2528526 0.71 TRPV1 (0.45) PTGS1TRPV1PTGS2
SCHEMBL2536999 0.71 TRPV1 (0.45) PTGS1TRPV1PTGS2TLR8
SCHEMBL2525752 0.70 TRPV1 (0.46) PTGS1TRPV1PTGS2
SCHEMBL2525244 0.69 TRPV1 (0.46) PTGS1TRPV1PTGS2
SCHEMBL2870247 0.69 KDM4E (0.39) TRPV1TKT
SCHEMBL2526238 0.68 TRPV1 (0.43) PTGS1TRPV1PTGS2
SCHEMBL2529879 0.67 TRPV1 (0.43) TRPV1PTGS2
SCHEMBL2525510 0.66 MBOAT4 (0.51) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 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 (2 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-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 PTGS1 1704/4885TRPV1 1/4885PTGS2 1541/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 PTGS1 1704/4885TRPV1 1/4885PTGS2 1541/4885

“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.