SCHEMBL1749549

SCHEMBL1749549

CC(=O)N(C)C1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.60
ESRRG P62508 5/20 0.53
PTPN2 P17706 1/20 0.53
PTPN11 Q06124 1/20 0.53
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPKAPK2 P49137 1/20 0.50
SETD2 Q9BYW2 2/20 0.46
NSD2 O96028 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
WNT3A P56704 1/20 0.44

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
SCHEMBL12529229 0.93 MCHR1 (0.61) MCHR1ESRRGPTPN2PTPN11KDM4E
SCHEMBL1750092 0.89 KDM4E (0.61) MCHR1KDM4ENPC1RAB9AMAPT
SCHEMBL12547786 0.89 MCHR1 (0.48) MCHR1ESRRGPTPN2PTPN11KDM4E
SCHEMBL1750453 0.84 MCHR1 (0.83) MCHR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12547883 0.84 MCHR1 (0.58) MCHR1ESRRGPTPN2PTPN11KDM4E
SCHEMBL12531288 0.84 MCHR1 (0.62) MCHR1ESRRGKDM4ESMN1; SMN2MAPKAPK2
SCHEMBL1748768 0.82 MCHR1 (0.51) MCHR1ESRRGNPC1RAB9AMAPT
SCHEMBL12529640 0.81 MCHR1 (0.64) MCHR1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL12529198 0.80 MCHR1 (0.60) MCHR1KDM4ENPC1RAB9AMEN1
SCHEMBL1750090 0.78 MCHR1 (0.58) MCHR1KDM4EMAPTSETD2NSD2

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 MCHR1 2068/4885ESRRG 3450/4885PTPN2 1803/4885

“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.