SCHEMBL5203558

SCHEMBL5203558

FC(F)(F)c1cccc(-c2c[nH]c(C3CCC(CNc4ncccn4)CC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.47
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46
MAPK13 O15264 4/20 0.43
MAPK9 P45984 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
PIM1 P11309 3/20 0.43
RAF1 P04049 2/20 0.41
IDH1 O75874 1/20 0.40
IDH2 P48735 1/20 0.40
EPHB4 P54760 1/20 0.40
KDM1A O60341 3/20 0.40
MAOB P27338 2/20 0.40
KCNH2 Q12809 1/20 0.39
MAOA P21397 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 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
SCHEMBL6964170 0.85 MAPK13 (0.43) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK9
SCHEMBL5206571 0.84 VCP (0.43) VCPCSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL5202721 0.83 KDM1A (0.44) VCPCSNK1A1CSNK1DRPS6KA3PIM1
SCHEMBL5203241 0.82 KDM1A (0.46) VCPCSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL5202973 0.81 VCP (0.45) VCPPIM1KDM1AMAOBKCNH2
SCHEMBL5205247 0.81 VCP (0.45) VCPPIM1KDM1AMAOBKCNH2
SCHEMBL5206599 0.79 GBA1 (0.48) VCPIDH2MEN1KMT2AGPR39
SCHEMBL5204794 0.78 KMT2A (0.46) VCPIDH2KMT2AGPR39
SCHEMBL5209916 0.78 KMT2A (0.46) VCPIDH2KMT2AGPR39
SCHEMBL5206200 0.78 KCNH2 (0.45) VCPPIM1KDM1AMAOBKCNH2

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 9 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-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 VCP 3862/4885CSNK1A1 2040/4885CSNK1D 1185/4885

“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.