Sugi Predict

Sugi Predict / Compounds / SCHEMBL5202827

SCHEMBL5202827

SCHEMBL5202827

CC[N+]([O-])(C(=O)C1CCC(CNC(=O)OCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.40
▸ CCR2 P41597 2/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ PTGIR P43119 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ VCP P55072 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 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
SCHEMBL14608979 0.76 CCR2 (0.45) MGLLCCR2CCR3PTGIRTACR1
SCHEMBL5202821 0.76 CCR2 (0.45) MGLLCCR2CCR3PTGIRTACR1
SCHEMBL14608977 0.75 KMT2A (0.48) CCR2CCR3ALDH1A1CYP1A2CYP3A4
SCHEMBL7258424 0.75 CCR2 (0.43) MGLLCCR2CCR3F13A1TGM2
SCHEMBL5204510 0.75 KMT2A (0.48) CCR2CCR3ALDH1A1CYP1A2CYP3A4
SCHEMBL8393648 0.72 LMNA (0.58) F13A1TGM2TGM1ALDH1A1GAA
SCHEMBL6483798 0.72 ALDH1A1 (0.53) F13A1TGM2TGM1ALDH1A1GAA
SCHEMBL6483802 0.72 ALDH1A1 (0.53) F13A1TGM2TGM1ALDH1A1GAA
SCHEMBL594857 0.72 ALDH1A1 (0.67) F13A1TGM2TGM1ALDH1A1GAA
SCHEMBL594858 0.72 ALDH1A1 (0.67) F13A1TGM2TGM1ALDH1A1GAA

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 MGLL 1633/4885CCR2 2516/4885CCR3 3994/4885

“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.