SCHEMBL6430919

SCHEMBL6430919

CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.77
NPSR1 Q6W5P4 1/20 0.71
HSD17B10 Q99714 1/20 0.71
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
PANK3 Q9H999 1/20 0.68

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
SCHEMBL4262793 0.88 TRPV1 (0.82) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL3712104 0.87 TRPV1 (0.80) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL6430270 0.85 TRPV1 (0.79) TRPV1PANK3
SCHEMBL6430141 0.85 TRPA1 (0.74) TRPV1PANK3
SCHEMBL4265022 0.84 TRPV1 (0.81) TRPV1NPSR1HSD17B10
SCHEMBL14423742 0.84 PANK3 (0.72) TRPV1PANK3
SCHEMBL14423741 0.84 PANK3 (0.72) TRPV1PANK3
SCHEMBL1250860 0.84 TRPV1 (0.78) TRPV1
SCHEMBL4266375 0.84 TRPV1 (0.66) TRPV1NPSR1HSD17B10
SCHEMBL4262868 0.83 TRPV1 (0.77) TRPV1NPSR1HSD17B10CA12CA1

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
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 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 (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-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 TRPV1 1/4885NPSR1 90/4885HSD17B10 3252/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885NPSR1 53/4885HSD17B10 3853/4885

“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.