SCHEMBL5202821

SCHEMBL5202821

O=C(NCC1CCC(C(=O)NCC(=O)c2cccc(C(F)(F)F)c2)CC1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.45
CCR3 P51677 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.42
TACR1 P25103 2/20 0.41
PTGIR P43119 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MGLL Q99685 1/20 0.41
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL14608979 1.00 CCR2 (0.45) CCR2CCR3LMNAHTTTACR1
SCHEMBL7258424 0.84 CCR2 (0.43) CCR2CCR3LMNAPTGIRALDH1A1
SCHEMBL14608977 0.84 KMT2A (0.48) CCR2CCR3LMNAALDH1A1KCNH2
SCHEMBL5204510 0.84 KMT2A (0.48) CCR2CCR3LMNAALDH1A1KCNH2
SCHEMBL805657 0.77 RXFP1 (0.51) CCR2LMNAHTTALDH1A1
SCHEMBL9408501 0.76 ALDH1A1 (0.50) LMNAHTTALDH1A1
SCHEMBL5202827 0.76 MGLL (0.40) CCR2CCR3TACR1PTGIRALDH1A1
SCHEMBL8393648 0.75 LMNA (0.58) LMNAHTTALDH1A1
SCHEMBL311627 0.74 KMT2A (0.50) CCR2LMNAMGLL
SCHEMBL594857 0.74 ALDH1A1 (0.67) LMNAHTTALDH1A1

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 CCR2 2516/4885CCR3 3994/4885LMNA 1665/4885

“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.