SCHEMBL4696955

SCHEMBL4696955

CN(C)CCOC1CCC(n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.40
MCHR1 Q99705 2/20 0.36
LSS P48449 1/20 0.35
PIK3CA P42336 1/20 0.34
PRKDC P78527 1/20 0.34
EPHX2 P34913 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL4696956 1.00 HRH3 (0.40) HRH3MCHR1LSSPIK3CAPRKDC
SCHEMBL14446159 0.87 HRH3 (0.39) HRH3MCHR1LSSPIK3CAPRKDC
SCHEMBL14446163 0.86 HRH3 (0.40) HRH3MCHR1LSSADORA2AADORA2B
SCHEMBL14446175 0.84 HRH3 (0.39) HRH3MCHR1LSSADORA2AADORA2B
SCHEMBL14446172 0.83 HRH3 (0.38) HRH3MCHR1ADORA2AADORA2BGRM2
SCHEMBL1728688 0.82 LSS (0.48) HRH3MCHR1LSSPIK3CAPRKDC
SCHEMBL1729124 0.81 LSS (0.47) HRH3MCHR1LSSPIK3CAPRKDC
SCHEMBL1729760 0.81 LSS (0.47) HRH3MCHR1LSSPIK3CAPRKDC
SCHEMBL14446169 0.79 HRH3 (0.38) HRH3MCHR1ADORA2AADORA2BGRM2
SCHEMBL4697494 0.79 HRH3 (0.43) HRH3EPHX2ADORA2AADORA2BKDM4E

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 3 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
US-20050176795-A1 Substituted N-cycloexylimidazolinones, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH 2005-08-11 US 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 3058/4885MCHR1 3539/4885LSS 421/4885

“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.