SCHEMBL4262868

SCHEMBL4262868

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 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
GAA P10253 1/20 0.63
KIT P10721 1/20 0.60

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
SCHEMBL6447509 0.88 TRPV1 (0.73) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL14423770 0.88 TRPV1 (0.69) TRPV1KIT
SCHEMBL4262793 0.86 TRPV1 (0.82) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL3712104 0.85 TRPV1 (0.80) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL6430919 0.83 TRPV1 (0.77) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4269392 0.81 TRPV1 (0.73) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4262251 0.81 HSD17B10 (0.71) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL6435440 0.80 TRPV1 (0.71) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4265025 0.80 TRPV1 (0.78) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4865985 0.79 TRPV1 (0.79) 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 4 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
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
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 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-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 TRPV1 1/4885NPSR1 90/4885HSD17B10 3252/4885

“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.