SCHEMBL1750535

SCHEMBL1750535

CN(C(=O)C1CCCCN1C(=O)OCc1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MCHR1 Q99705 5/20 0.46
CTSK P43235 3/20 0.45
CTSL P07711 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACACB O00763 1/20 0.40

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
SCHEMBL1750468 0.98 KDM4E (0.53) KDM4ELMNAMCHR1CTSKCTSL
SCHEMBL12528340 0.98 KDM4E (0.53) KDM4ELMNAMCHR1CTSKCTSL
SCHEMBL12547560 0.89 MCHR1 (0.42) KDM4ELMNAMCHR1NPSR1ALDH1A1
SCHEMBL12528284 0.89 MCHR1 (0.42) KDM4ELMNAMCHR1NPSR1ALDH1A1
SCHEMBL1750463 0.89 MCHR1 (0.42) KDM4ELMNAMCHR1NPSR1ALDH1A1
SCHEMBL1749700 0.88 MCHR1 (0.44) KDM4ELMNAMCHR1ALDH1A1HRH3
SCHEMBL1749691 0.87 MCHR1 (0.43) KDM4ELMNAMCHR1ALDH1A1HRH3
SCHEMBL1749316 0.87 MCHR1 (0.43) KDM4ELMNAMCHR1ALDH1A1HRH3
SCHEMBL1750070 0.87 ALDH1A1 (0.42) KDM4ELMNAMCHR1ALDH1A1TSHR
SCHEMBL1749251 0.86 MCHR1 (0.45) KDM4ELMNAMCHR1HRH3ACACB

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 8 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-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-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 KDM4E 2896/4885LMNA 2573/4885MCHR1 2068/4885

“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.