SCHEMBL6435440

SCHEMBL6435440

CCCCc1ccc(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 6/20 0.71
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
NPSR1 Q6W5P4 1/20 0.64
HSD17B10 Q99714 1/20 0.64
GAA P10253 1/20 0.61

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
SCHEMBL6430235 0.86 TRPV1 (0.70) TRPV1
SCHEMBL13930769 0.85 TRPV1 (0.68) TRPV1
SCHEMBL4262793 0.85 TRPV1 (0.82) TRPV1CA12CA1CA2CA9
SCHEMBL3712104 0.84 TRPV1 (0.80) TRPV1CA12CA1CA2CA9
SCHEMBL6430919 0.82 TRPV1 (0.77) TRPV1CA12CA1CA2CA9
SCHEMBL6430862 0.82 ALDH1A1 (0.62) TRPV1
SCHEMBL4262868 0.80 TRPV1 (0.77) TRPV1CA12CA1CA2CA9
SCHEMBL13930770 0.79 TRPV1 (0.70) TRPV1
SCHEMBL4269392 0.78 TRPV1 (0.73) TRPV1CA12CA1CA2CA9
SCHEMBL12190505 0.77 GAA (0.64) TRPV1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US claimed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 US claimed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US claimed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO claimed
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 (3 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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885CA12 2322/4885CA1 2157/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885CA12 3808/4885CA1 1643/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885CA12 2322/4885CA1 2157/4885

“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.