SCHEMBL6447509

SCHEMBL6447509

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1.O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.73
NPSR1 Q6W5P4 2/20 0.62
HSD17B10 Q99714 1/20 0.62
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
CASP3 P42574 1/20 0.57
HTT P42858 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.50

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
SCHEMBL4274909 0.92 TRPV1 (0.80) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4262868 0.88 TRPV1 (0.77) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4411583 0.79 TRPV1 (0.73) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4262251 0.78 HSD17B10 (0.71) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4265025 0.78 TRPV1 (0.78) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4264115 0.77 NPSR1 (0.71) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL14423770 0.77 TRPV1 (0.69) TRPV1MAPTKIT
SCHEMBL4262793 0.76 TRPV1 (0.82) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL3712104 0.75 TRPV1 (0.80) TRPV1NPSR1HSD17B10CA12CA1
SCHEMBL4262324 0.75 MAPT (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.