SCHEMBL21294826

SCHEMBL21294826

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.55
ALDH1A1 P00352 1/20 0.44
CCR2 P41597 14/20 0.43
CYP2D6 P10635 3/20 0.41
HTR2C P28335 2/20 0.41
KCNH2 Q12809 2/20 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
SCHEMBL21306615 0.88 SCN9A (0.54) SCN9AALDH1A1CCR2
SCHEMBL28495457 0.88 SCN9A (0.54) SCN9AALDH1A1CCR2
SCHEMBL21306731 0.87 SCN9A (0.52) SCN9AALDH1A1CCR2HTR2C
Hydrochloric Acid SCHEMBL21294795 0.86 SCN9A (0.51) SCN9AALDH1A1CCR2HTR2C
SCHEMBL21294897 0.84 SCN9A (0.54) SCN9AHTR2C
SCHEMBL21294783 0.84 HTR2C (0.47) SCN9ACCR2HTR2C
SCHEMBL28492456 0.83 SCN9A (0.49) SCN9AALDH1A1CCR2
SCHEMBL21294786 0.82 SCN9A (0.50) SCN9AHTR2C
SCHEMBL21311686 0.81 SCN9A (0.46) SCN9AALDH1A1CCR2
SCHEMBL21311632 0.81 SCN9A (0.46) SCN9AALDH1A1CCR2

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 2136/4885ALDH1A1 1643/4885CCR2 1546/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 SCN9A 90/4885ALDH1A1 1075/4885CCR2 2153/4885

“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.