SCHEMBL18389331

SCHEMBL18389331

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
ADORA3 P0DMS8 4/20 0.46
CTRC Q99895 3/20 0.46
HSD11B1 P28845 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
SCN9A Q15858 2/20 0.42
ALPL P05186 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CNR2 P34972 1/20 0.41
ANO1 Q5XXA6 1/20 0.41

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
SCHEMBL18389420 0.87 L3MBTL1 (0.48) CNR1ADORA3CTRCACACBACACA
SCHEMBL20130841 0.87 ADORA3 (0.42) CNR1ADORA3CTRCACACBACACA
SCHEMBL20130838 0.86 ADORA3 (0.41) CNR1ADORA3CTRCACACBACACA
SCHEMBL18389604 0.85 CNR1 (0.49) CNR1ADORA3CTRCHSD11B1ALPL
SCHEMBL18389332 0.85 CNR1 (0.49) CNR1ADORA3CTRCHSD11B1ALPL
SCHEMBL20130794 0.85 ACACB (0.45) CNR1ADORA3CTRCHSD11B1ACACB
SCHEMBL18389378 0.84 ADORA3 (0.50) ADORA3ACACBACACASCN9A
SCHEMBL18794937 0.80 CNR1 (0.42) CNR1ADORA3CTRCHSD11B1ALPL
SCHEMBL18389336 0.79 CNR1 (0.44) CNR1ADORA3CTRCHSD11B1
SCHEMBL19207323 0.78 CNR1 (0.48) CNR1ADORA3CTRCHSD11B1

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 3 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
WO-2017009274-A1 2-PHENYL-6-IMIDAZOLYL-PYRIDINE-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-01-19 WO 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 CNR1 178/4885ADORA3 316/4885CTRC 3397/4885

“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.