SCHEMBL5205607

SCHEMBL5205607

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.51
KCNH2 Q12809 1/20 0.45
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PIN1 Q13526 1/20 0.42
ADORA1 P30542 2/20 0.42
MAPK13 O15264 4/20 0.42
MAPK9 P45984 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
MAPK14 Q16539 4/20 0.42
CASP6 P55212 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
MCHR1 Q99705 1/20 0.40
RAF1 P04049 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL5206636 0.85 KIT (0.49) KITKCNH2CSNK1A1CSNK1DRPS6KA3
SCHEMBL5207734 0.84 KIT (0.51) KITCSNK1A1CSNK1DRPS6KA3ADORA1
SCHEMBL5205247 0.83 VCP (0.45) KCNH2CASP6ADORA2AMCHR1PIM1
SCHEMBL15732412 0.75 KIT (0.52) KITCSNK1A1CSNK1DRPS6KA3PIN1
SCHEMBL5202973 0.73 VCP (0.45) KCNH2CASP6PIM1
SCHEMBL5206200 0.70 KCNH2 (0.45) KCNH2CASP6MCHR1PIM1
SCHEMBL5206571 0.69 VCP (0.43) KITKCNH2CSNK1A1CSNK1DRPS6KA3
SCHEMBL4338419 0.69 TGFBR1 (0.54) KITCSNK1A1CSNK1DMAPK14
SCHEMBL5211402 0.68 PIN1 (0.52) PIN1ADORA1MAPK13MAPK9MAPK12
SCHEMBL14609037 0.68 VCP (0.47) KCNH2

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 10 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 claimed
US-7034034-B2 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NEUROGEN CORPORATION (US) 2006-04-25 US claimed
WO-2003104255-A2 SUBSTITUTED 2-CYCLOHEXYL-4-PHENYL-1H-IMIDAZOLE DERIVATIVES NEUROGEN CORPORATION (US) 2003-12-18 WO claimed
US-20030144290-A1 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NEUROGEN CORPORATION 2003-07-31 US claimed
EP-1306085-A1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor Neurogen Corporation (US) 2003-05-02 EP claimed
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 KIT 1906/4885KCNH2 1937/4885CSNK1A1 2040/4885

“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.