SCHEMBL4698633

SCHEMBL4698633

O=C1CCC(n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PARP10 Q53GL7 1/20 0.35
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
ACACB O00763 1/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4697494 0.86 HRH3 (0.43) HRH3ALDH1A1KDM4EPKMGABRA1
SCHEMBL4697492 0.86 HRH3 (0.43) HRH3ALDH1A1KDM4EPKMGABRA1
SCHEMBL4697632 0.82 HRH3 (0.37) HRH3GABRA1GABRG2GABRB3GABRA3
SCHEMBL14446164 0.81 HRH3 (0.52) HRH3KCNH2
SCHEMBL14446160 0.81 HRH3 (0.49) HRH3KCNH2
SCHEMBL4697753 0.81 MGLL (0.40) HRH3ALDH1A1KDM4EPKM
SCHEMBL14446171 0.79 HRH3 (0.49) HRH3KCNH2
SCHEMBL14446177 0.79 HRH3 (0.50) HRH3KCNH2
SCHEMBL14446226 0.79 HRH3 (0.49) HRH3KCNH2
SCHEMBL4696955 0.78 HRH3 (0.40) HRH3ALDH1A1KDM4EPKMADORA2A

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-1711473-B1 SUBSTITUTED N-CYCLOHEXYLIMIDAZOLINONES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2008-01-09 EP disclosed
US-7241787-B2 Substituted N-cycloexylimidazolinones, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-10 US disclosed
EP-1711473-A1 SUBSTITUTED N-CYCLOHEXYLIMIDAZOLINONES HAVING AN MCH-MODULATORY EFFECT Sanofi-Aventis Deutschland GmbH (DE) 2006-10-18 EP disclosed
US-20050176795-A1 Substituted N-cycloexylimidazolinones, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH 2005-08-11 US disclosed
WO-2005070898-A1 SUBSTITUTED N-CYCLOHEXYL IMIDAZOLINONES HAVING AN MCH-MODULATORY EFFECT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-08-04 WO 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-20050176795-A1 Substituted N-cycloexylimidazolinones, process for their preparation and their use as medicaments CYP11B1, CYP11B2, GPR119 HRH3 3058/4885ALDH1A1 1071/4885KDM4E 1557/4885

“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.