SCHEMBL19084092

SCHEMBL19084092

CC(C)(C)C1CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
RORC P51449 9/20 0.41
MGAT2 Q10469 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GRM2 Q14416 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL18908954 0.87 SCN9A (0.43) SCN9ARORCALDH1A1DCUN1D1PKM
SCHEMBL20697640 0.85 SCN9A (0.42) SCN9ARORCDCUN1D1PKMPKLR
SCHEMBL19075810 0.84 OPRM1 (0.38) RORCMGAT2ALDH1A1DRD2DRD4
SCHEMBL19075643 0.84 RORC (0.42) SCN9ARORCALDH1A1DCUN1D1PKM
SCHEMBL19083787 0.79 DCUN1D1 (0.43) MGAT2DCUN1D1DRD2BCHEACHE
SCHEMBL19083688 0.78 SCN9A (0.47) SCN9ARORCALDH1A1PKMPKLR
SCHEMBL19427314 0.77 SCN9A (0.50) SCN9ARORCALDH1A1PKMPKLR
SCHEMBL19075613 0.76 MGAT2 (0.45) MGAT2ALDH1A1GAADCUN1D1BCHE
SCHEMBL19075547 0.76 ACKR3 (0.45) MGAT2ALDH1A1DRD2DRD4
SCHEMBL21075511 0.75 SCN9A (0.45) SCN9AALDH1A1PKMPKLR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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 (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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885RORC 717/4885MGAT2 2178/4885

“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.