SCHEMBL5203636

SCHEMBL5203636

O=C(O)C1CCC(c2nc(-c3cccc(Br)c3)c[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PPARG P37231 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PDE4D Q08499 5/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
KMT2A Q03164 3/20 0.39
VCP P55072 5/20 0.39
AURKA O14965 1/20 0.38
POLB P06746 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL5203627 1.00 NPC1 (0.45) NPC1RAB9APPARGATMRXFP1
SCHEMBL14834449 0.88 IDO1 (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL408754 0.87 NPC1 (0.55) NPC1RAB9AVCPAKR1C3AKR1C1
SCHEMBL442390 0.87 NPC1 (0.55) NPC1RAB9AVCPAKR1C3AKR1C1
SCHEMBL15732597 0.83 POLB (0.43) KMT2AAURKAPOLBKDM4EMEN1
SCHEMBL5205443 0.82 KCNH2 (0.35) NPC1RAB9ARXFP1KMT2AAURKA
SCHEMBL5204958 0.82 ALDH1A1 (0.45)
SCHEMBL5206565 0.82 KCNH2 (0.47) NPC1RAB9APDE4DPDE4APDE4B
SCHEMBL5205158 0.82 KCNH2 (0.47) NPC1RAB9APDE4DPDE4APDE4B
SCHEMBL14608992 0.82 KCNH2 (0.47) NPC1RAB9APDE4DPDE4APDE4B

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 NPC1 3688/4885RAB9A 3491/4885PPARG 223/4885

“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.