SCHEMBL20130841

SCHEMBL20130841

Cc1cc(C(=O)NC(C)(C)C(F)(F)F)cc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.42
CTRC Q99895 3/20 0.42
SCN9A Q15858 4/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
CNR1 P21554 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 1/20 0.38
VCP P55072 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL18389331 0.87 CNR1 (0.50) ADORA3CTRCSCN9AACACBACACA
SCHEMBL18389330 0.87 ADORA3 (0.41) ADORA3CTRCCNR1CNR2
SCHEMBL20127051 0.87 ADORA3 (0.41) ADORA3CTRCCNR1NPC1RAB9A
SCHEMBL18389420 0.83 L3MBTL1 (0.48) ADORA3CTRCSCN9AACACBACACA
SCHEMBL20130838 0.82 ADORA3 (0.41) ADORA3CTRCSCN9AACACBACACA
SCHEMBL20130794 0.81 ACACB (0.45) ADORA3CTRCSCN9AACACBACACA
SCHEMBL19259345 0.80 CTRC (0.38) ADORA3CTRCCNR1CNR2
SCHEMBL19656298 0.79 SCN10A (0.43) CYP3A4CYP2C9CYP2C19CNR1SCN2A
SCHEMBL19259333 0.78 CTRC (0.38) ADORA3CTRCCNR1CNR2
SCHEMBL18389398 0.78 CTRC (0.35) ADORA3CTRCCNR1NPC1RAB9A

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
EP-3322699-B1 2-PHENYL-6-IMIDAZOLYL-PYRIDINE-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
US-20180125823-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-10 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-20180125823-A1 IMIDAZOLE DERIVATIVES OXTR, DRD3, MC3R ADORA3 316/4885CTRC 3397/4885SCN9A 999/4885

“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.