SCHEMBL21294897

SCHEMBL21294897

CN(C)CC(=O)N(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.54
HTR2C P28335 1/20 0.40

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
SCHEMBL21306611 0.88 SCN9A (0.53) SCN9A
SCHEMBL28487575 0.88 SCN9A (0.53) SCN9A
SCHEMBL21294786 0.87 SCN9A (0.50) SCN9AHTR2C
SCHEMBL21294826 0.84 SCN9A (0.55) SCN9AHTR2C
SCHEMBL21294862 0.84 SCN9A (0.51) SCN9AHTR2C
SCHEMBL21306732 0.84 SCN9A (0.49) SCN9AHTR2C
SCHEMBL28495431 0.82 SCN9A (0.44) SCN9AHTR2C
SCHEMBL28495980 0.80 SCN9A (0.47) SCN9A
SCHEMBL21312032 0.79 POLB (0.46) SCN9AHTR2C
SCHEMBL21311687 0.79 POLB (0.46) SCN9AHTR2C

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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 SCN9A 2136/4885HTR2C 2475/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 SCN9A 90/4885HTR2C 823/4885

“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.