SCHEMBL1750276

SCHEMBL1750276

CN1CCCC(C(=O)N(C)[C@@H]2CCN(c3ccc(NC(=O)c4ccc(C5CCCCC5)cc4)cc3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.54
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
DEGS1 O15121 1/20 0.47
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
KDM1B Q8NB78 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43

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
SCHEMBL1749303 0.88 MCHR1 (0.50) MCHR1HDAC3HDAC11HDAC8HDAC6
SCHEMBL12529473 0.87 MCHR1 (0.62) MCHR1
SCHEMBL1750064 0.86 MCHR1 (0.71) MCHR1HDAC3HDAC11HDAC8HDAC6
SCHEMBL12529199 0.84 MCHR1 (0.70) MCHR1HDAC3HDAC11HDAC8HDAC6
SCHEMBL12529349 0.82 MCHR1 (0.56) MCHR1HDAC3HDAC11HDAC8HDAC6
SCHEMBL1748974 0.82 MCHR1 (0.57) MCHR1
SCHEMBL12529484 0.82 MCHR1 (0.58) MCHR1HDAC3HDAC11HDAC8HDAC6
SCHEMBL2636183 0.79 MCHR1 (0.43) MCHR1
SCHEMBL1750271 0.78 MCHR1 (0.44) MCHR1
SCHEMBL1750681 0.77 CCR5 (0.41) MCHR1

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 2068/4885HDAC3 2248/4885HDAC11 2877/4885

“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.