SCHEMBL18285334

SCHEMBL18285334

CCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2ccnc2C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.38
ACKR3 P25106 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
WDR5 P61964 1/20 0.34
KCNH2 Q12809 1/20 0.34
P2RY14 Q15391 1/20 0.34
LMNA P02545 1/20 0.33
BTK Q06187 1/20 0.33
HTT P42858 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL18285320 0.93 CNR2 (0.41) ANO1CNR2CNR1WDR5KCNH2
SCHEMBL18285328 0.91 CNR1 (0.40) ANO1ACKR3CNR2CNR1WDR5
SCHEMBL18285324 0.89 ANO1 (0.35) ANO1CNR1WDR5KCNH2P2RY14
SCHEMBL18285310 0.87 LMNA (0.35) CNR2WDR5KCNH2P2RY14LMNA
SCHEMBL18285318 0.85 ANO1 (0.39) ANO1L3MBTL1CNR2CNR1KCNH2
SCHEMBL18285368 0.84 CNR2 (0.38) ANO1L3MBTL1CNR2CNR1
SCHEMBL18285336 0.83 BRAF (0.35) ANO1CNR1WDR5
SCHEMBL20921547 0.83 P2RY14 (0.36) ACKR3CNR2WDR5P2RY14LMNA
SCHEMBL18285369 0.83 PDE4B (0.38) ANO1L3MBTL1CNR2CNR1KCNH2
SCHEMBL18172407 0.83 PRCP (0.38) ANO1ACKR3L3MBTL1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531642-B Imidazole derivatives 豪夫迈·罗氏有限公司 2021-06-22 CN claimed
EP-3303299-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-24 EP claimed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP claimed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 WO claimed
CN-107531642-B Imidazole derivatives 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3303299-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-24 EP disclosed
US-10029989-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-10029989-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-20180118692-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
US-20180118692-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 WO disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 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 (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-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 ANO1 1134/4885ACKR3 882/4885L3MBTL1 2495/4885
US-10029989-B2 Imidazole derivatives DRD3, GABRR3, DRD4 ANO1 1134/4885ACKR3 882/4885L3MBTL1 2495/4885

“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.