SCHEMBL5207862

SCHEMBL5207862

CC(=O)NCC1CCC(c2nc(-c3cccc(C#N)c3)c[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.42
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
LRRK2 Q5S007 1/20 0.41
VNN1 O95497 1/20 0.40
ABL1 P00519 1/20 0.40
CETP P11597 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR2 P34972 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
DKK1 O94907 1/20 0.38
GAA P10253 1/20 0.38
USP30 Q70CQ3 2/20 0.38
KDM1A O60341 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
SCHEMBL5207569 0.85 KMT2A (0.41) ADORA2ACYP1A2CYP2D6ABL1KCNH2
SCHEMBL5205247 0.82 VCP (0.45) ADORA2ACETPKCNH2CNR2DKK1
SCHEMBL311692 0.77 KDM1A (0.46) CYP1A2CLK4LRRK2USP30KDM1A
SCHEMBL90986 0.77 LRRK2 (0.38) LRRK2USP30KDM1A
Hydrochloric Acid SCHEMBL27796904 0.76 KDM1A (0.45) CYP1A2CLK4LRRK2USP30KDM1A
SCHEMBL5204673 0.73 VCP (0.46)
SCHEMBL5202973 0.72 VCP (0.45) CETPKCNH2CNR2KDM1A
SCHEMBL5203657 0.72 CKS1B (0.41) CYP1A2CYP2D6CNR2
SCHEMBL5205206 0.72 CKS1B (0.49)
Hydrochloric Acid SCHEMBL11904247 0.71 TLR9 (0.43) CYP2D6LRRK2USP30UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306085-B1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor NEUROGEN CORP (US) 2007-02-14 EP disclosed
US-7034034-B2 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NEUROGEN CORPORATION (US) 2006-04-25 US disclosed
WO-2003104255-A2 SUBSTITUTED 2-CYCLOHEXYL-4-PHENYL-1H-IMIDAZOLE DERIVATIVES NEUROGEN CORPORATION (US) 2003-12-18 WO disclosed
US-20030144290-A1 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NEUROGEN CORPORATION 2003-07-31 US disclosed
EP-1306085-A1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor Neurogen Corporation (US) 2003-05-02 EP 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-20030144290-A1 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NPY5R, NPY4R, NPY1R ADORA2A 2187/4885USP2 4052/4885CYP1A2 2163/4885

“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.