SCHEMBL12528869

SCHEMBL12528869

CN(C)C1CCN(c2ccc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.58
▸ S1PR2 O95136 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ JAK1 P23458 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ WDR91 A4D1P6 1/20 0.46
▸ FPR1 P21462 1/20 0.44
▸ FPR2 P25090 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
SCHEMBL1749157 0.93 HRH3 (0.53) MCHR1S1PR2KDM4ELMNASMN1; SMN2
SCHEMBL12529014 0.87 MCHR1 (0.65) MCHR1KDM4ELMNASMN1; SMN2CA12
SCHEMBL12529112 0.86 MCHR1 (0.51) MCHR1KDM4ELMNASMN1; SMN2CA12
SCHEMBL12528881 0.83 MCHR1 (0.75) MCHR1KDM4ELMNASMN1; SMN2CA12
SCHEMBL12528767 0.83 MCHR1 (0.64) MCHR1KDM4ELMNASMN1; SMN2CA12
SCHEMBL12529050 0.82 MCHR1 (0.59) MCHR1KDM4ELMNASMN1; SMN2CA12
SCHEMBL12529120 0.81 MCHR1 (0.59) MCHR1
SCHEMBL12529071 0.81 MCHR1 (0.57) MCHR1KDM4ELMNASMN1; SMN2CA12
SCHEMBL5912424 0.81 S1PR2 (0.65) S1PR2LMNASMN1; SMN2CA12CA2
SCHEMBL12529144 0.80 MCHR1 (0.71) MCHR1LMNASMN1; SMN2MAPTFPR1

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 2068/4885S1PR2 3277/4885KDM4E 2896/4885

“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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