SCHEMBL5209916

SCHEMBL5209916

O=S(=O)(NC[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.42
IDH2 P48735 3/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY5R Q15761 2/20 0.39
CNR2 P34972 1/20 0.39
NAMPT P43490 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
GBA1 P04062 1/20 0.38
GPR39 O43194 2/20 0.38
VCP P55072 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
SCHEMBL5204794 1.00 KMT2A (0.46) KMT2ATSHRIDH2CNR1KDM4E
SCHEMBL5206599 0.91 GBA1 (0.48) KMT2ATSHRIDH2CNR1KDM4E
SCHEMBL6964564 0.86 KMT2A (0.40) KMT2ATSHRNPY5RNAMPTCKS1B
SCHEMBL5203558 0.78 VCP (0.47) KMT2AIDH2GPR39VCP
SCHEMBL5206571 0.78 VCP (0.43) KMT2AVCP
SCHEMBL5205247 0.77 VCP (0.45) KMT2ACNR2VCP
SCHEMBL5202973 0.77 VCP (0.45) KMT2ACNR2CKS1BSKP2VCP
SCHEMBL5202652 0.77 GBA1 (0.51) KMT2AALDH1A1MAPTNPY5RGBA1
SCHEMBL5203603 0.77 CCR5 (0.43) KMT2ANPY5RVCP
SCHEMBL5202721 0.77 KDM1A (0.44) KMT2AALDH1A1VCP

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 6 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
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 KMT2A 2283/4885TSHR 265/4885IDH2 1452/4885

“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.