SCHEMBL18285358

SCHEMBL18285358

CC(C)c1nccn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
ANO1 Q5XXA6 1/20 0.35
CNR1 P21554 4/20 0.35
KCNH2 Q12809 2/20 0.35
IDO1 P14902 1/20 0.35
PDE4B Q07343 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC6A7 Q99884 1/20 0.33
F10 P00742 2/20 0.33
PDE2A O00408 1/20 0.33
TYRO3 Q06418 1/20 0.33
WDR5 P61964 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
SCHEMBL20921550 0.91 ANO1 (0.35) P2RX3P2RX2ANO1CNR1KCNH2
SCHEMBL18285359 0.91 TTK (0.38) P2RX3P2RX2CNR1PDE4BPDE4A
SCHEMBL18285299 0.89 CNR1 (0.43) ANO1CNR1PDE4BPDE4APDE4C
SCHEMBL20921747 0.89 PDE4B (0.38) P2RX3P2RX2ANO1PDE4BPDE4A
SCHEMBL18285298 0.87 RAF1 (0.39) ANO1CNR1KCNH2IDO1F10
SCHEMBL18285324 0.86 ANO1 (0.35) ANO1CNR1KCNH2IDO1SLC6A7
SCHEMBL18293056 0.86 GRM5 (0.35) CNR1PDE4BPDE4APDE4CPDE4D
SCHEMBL18285307 0.86 CNR2 (0.42) ANO1CNR1PDE4BPDE4APDE4C
SCHEMBL18285369 0.86 PDE4B (0.38) P2RX3P2RX2ANO1CNR1KCNH2
SCHEMBL18285357 0.86 MAPT (0.40) P2RX3P2RX2ANO1CNR1KCNH2

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 12 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

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 P2RX3 1346/4885P2RX2 2506/4885ANO1 1134/4885
US-10029989-B2 Imidazole derivatives DRD3, GABRR3, DRD4 P2RX3 1346/4885P2RX2 2506/4885ANO1 1134/4885

“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.