SCHEMBL620048

SCHEMBL620048

O=C(Nc1cccc2c(=O)[nH]ccc12)N(C1CC2(CCC2)Oc2ccccc21)N(C(=O)Nc1cccc2c(=O)[nH]ccc12)C1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.45
PARP1 P09874 10/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL3751548 0.84 TRPV1 (0.62) TRPV1PARP1
SCHEMBL3756316 0.67 PARP1 (0.46) TRPV1PARP1TNKSTNKS2
SCHEMBL619619 0.67 TRPV1 (0.51) TRPV1
SCHEMBL620269 0.67 TRPV1 (0.43) TRPV1
SCHEMBL620480 0.66 TRPV1 (0.61) TRPV1
SCHEMBL620529 0.65 TRPV1 (0.60) TRPV1
SCHEMBL4786503 0.65 TRPV1 (0.66) TRPV1
SCHEMBL620565 0.63 TRPV1 (0.65) TRPV1
SCHEMBL616146 0.63 TRPV1 (0.76) TRPV1
SCHEMBL15446074 0.63 TRPV1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 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-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885PARP1 3878/4885TNKS 2631/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885PARP1 3878/4885TNKS 2631/4885

“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.