SCHEMBL1750045

SCHEMBL1750045

CN(C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
MCHR1 Q99705 5/20 0.41
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
ACACB O00763 5/20 0.40
CCR1 P32246 2/20 0.39
EPHX2 P34913 3/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL1749480 0.93 HRH3 (0.42) HRH3MCHR1FPR1FPR2ACACB
SCHEMBL2636842 0.90 HRH3 (0.46) HRH3MCHR1ACACBCCR1MAPT
SCHEMBL1749718 0.90 ACACB (0.44) HRH3MCHR1ACACBCCR1MAPT
SCHEMBL2637268 0.90 HRH3 (0.46) HRH3MCHR1ACACBCCR1MAPT
SCHEMBL1749073 0.90 ACACB (0.44) HRH3MCHR1ACACBCCR1MAPT
SCHEMBL1750070 0.84 ALDH1A1 (0.42) HRH3MCHR1ACACBCCR1ALDH1A1
SCHEMBL1749241 0.84 MCHR1 (0.41) HRH3MCHR1ACACBCCR1MAPT
SCHEMBL12528340 0.83 KDM4E (0.53) HRH3MCHR1ALDH1A1
SCHEMBL1750468 0.83 KDM4E (0.53) HRH3MCHR1ALDH1A1
SCHEMBL1750690 0.82 MCHR1 (0.56) HRH3MCHR1ACACBMAPTALDH1A1

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
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 HRH3 748/4885MCHR1 2068/4885FPR1 586/4885

“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.