SCHEMBL12529074

SCHEMBL12529074

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TRPV1 Q8NER1 3/20 0.50
▸ DRD2 P14416 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ HTR2B P41595 1/20 0.46

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
SCHEMBL12529006 0.93 SMN1; SMN2 (0.60) MCHR1SMN1; SMN2TRPV1HRH3HTR1A
SCHEMBL14415286 0.85 MCHR1 (0.56) MCHR1SMN1; SMN2TRPV1HTR1AHTR2A
SCHEMBL12529020 0.85 MCHR1 (0.57) MCHR1SMN1; SMN2TRPV1HRH3HTR1A
SCHEMBL12529014 0.85 MCHR1 (0.65) MCHR1SMN1; SMN2TRPV1HRH3HTR1A
SCHEMBL12529009 0.84 MAPT (0.62) MCHR1SMN1; SMN2HRH3KDM4ELMNA
SCHEMBL12529017 0.84 POLB (0.62) MCHR1SMN1; SMN2HRH3HTR1AHTR2C
SCHEMBL12528993 0.84 MCHR1 (0.65) MCHR1HRH3
SCHEMBL12529055 0.83 MAPT (0.66) MCHR1SMN1; SMN2HRH3KDM4ELMNA
SCHEMBL12529071 0.83 MCHR1 (0.57) MCHR1SMN1; SMN2TRPV1HRH3KDM4E
SCHEMBL12529040 0.83 CA12 (0.59) MCHR1HTR1AHTR2AHTR2CHTR7

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 2068/4885SMN1; SMN2 1946/4885TRPV1 649/4885

“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.

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