SCHEMBL21716602

SCHEMBL21716602

NCc1cc(C2CCC3(CC2)CC3)c(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.39
SCN9A Q15858 2/20 0.32
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL16635599 0.71 FFAR4 (0.44) FFAR4
Hydrochloric Acid SCHEMBL16635423 0.70 FFAR4 (0.43) FFAR4
SCHEMBL26621148 0.68 CYP17A1 (0.30) SCN9A
SCHEMBL28005650 0.67 LOXL2 (0.34)
Hydrochloric Acid SCHEMBL26600942 0.66 LOXL2 (0.33)
SCHEMBL20103640 0.66 CNR2 (0.35)
SCHEMBL28189536 0.63 MAPT (0.32)
SCHEMBL21355238 0.63 LOXL2 (0.31)
SCHEMBL17973833 0.62 NOTUM (0.39) FFAR4
SCHEMBL16647955 0.62 SCN9A (0.32) SCN9A

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-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 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-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LNPEP 2896/4885SCN9A 47/4885FFAR4 611/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 LNPEP 2896/4885SCN9A 47/4885FFAR4 611/4885

“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.