SCHEMBL5204958

SCHEMBL5204958

O=C(Nc1ncccn1)C1CCC(c2nc(-c3cccc(Br)c3)c[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ADORA1 P30542 5/20 0.45
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 3/20 0.45
ABL1 P00519 3/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 3/20 0.39
GSK3B P49841 5/20 0.39
DYRK1A Q13627 2/20 0.39
CDK2 P24941 1/20 0.38
GSK3A P49840 1/20 0.38
MYLK Q15746 1/20 0.38
MARK1 Q9P0L2 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDGFRB P09619 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
HPGD P15428 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
SCHEMBL5209997 0.85 ALDH1A1 (0.47) ALDH1A1LMNAADORA1ADORA3ADORA2A
SCHEMBL5203627 0.82 NPC1 (0.45)
SCHEMBL5203636 0.82 NPC1 (0.45)
SCHEMBL14834449 0.81 IDO1 (0.44) ALDH1A1HPGD
SCHEMBL14608978 0.79 POLB (0.39) LMNA
SCHEMBL5205443 0.76 KCNH2 (0.35) ALDH1A1HPGD
SCHEMBL5207569 0.74 KMT2A (0.41) ALDH1A1LMNAADORA1ADORA2AABL1
SCHEMBL15732597 0.74 POLB (0.43) ALDH1A1
SCHEMBL5203657 0.72 CKS1B (0.41) ALDH1A1LMNAHPGD
SCHEMBL408754 0.70 NPC1 (0.55) ADORA1ADORA3ADORA2A

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 ALDH1A1 4260/4885LMNA 1665/4885ADORA1 1807/4885

“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.