SCHEMBL12529071

SCHEMBL12529071

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4cc(Cl)cc(Cl)c4)CC3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.57
▸ CA12 O43570 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 4/20 0.54
▸ TP53 P04637 2/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.50
▸ PANK3 Q9H999 2/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL12529014 0.94 MCHR1 (0.65) MCHR1CA12CA2CA9SMN1; SMN2
SCHEMBL12529009 0.91 MAPT (0.62) MCHR1CA12CA2CA9SMN1; SMN2
SCHEMBL12529055 0.90 MAPT (0.66) MCHR1CA12CA2CA9SMN1; SMN2
SCHEMBL12528808 0.88 MCHR1 (0.56) MCHR1SMN1; SMN2MAPTPOLBHRH3
SCHEMBL12528993 0.88 MCHR1 (0.65) MCHR1CA12CA2CA9MAPT
SCHEMBL12529027 0.88 MAPT (0.62) MCHR1SMN1; SMN2MAPTTP53POLB
SCHEMBL14415286 0.88 MCHR1 (0.56) MCHR1CA12CA2CA9SMN1; SMN2
SCHEMBL12529018 0.87 CA12 (0.63) MCHR1CA12CA2CA9SMN1; SMN2
SCHEMBL12529069 0.86 MCHR1 (0.53) MCHR1CA12CA2CA9SMN1; SMN2
SCHEMBL12528997 0.86 TRPV1 (0.61) MCHR1MAPTTRPV1HRH3

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 2068/4885CA12 2612/4885CA2 1000/4885

“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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