SCHEMBL12529041

SCHEMBL12529041

COc1cccc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.61
▸ CA1 P00915 4/20 0.61
▸ CA2 P00918 4/20 0.61
▸ CA9 Q16790 4/20 0.61
▸ MAPT P10636 4/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ NAMPT P43490 2/20 0.55
▸ HTR1A P08908 2/20 0.55
▸ HTR1D P28221 2/20 0.55
▸ HTR1B P28222 2/20 0.55
▸ MCHR1 Q99705 4/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ CYP2C9 P11712 1/20 0.51
▸ PTPN7 P35236 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL12529045 0.91 MAPT (0.65) CA12CA1CA2CA9MAPT
SCHEMBL12529009 0.88 MAPT (0.62) CA12CA1CA2CA9MAPT
SCHEMBL12529022 0.88 CA12 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL12528910 0.88 MCHR1 (0.57) CA12CA1CA2CA9MAPT
SCHEMBL12528993 0.88 MCHR1 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL12529076 0.86 HTR1B (0.55) CA12CA1CA2CA9MAPT
SCHEMBL12528987 0.86 LMNA (0.66) MAPTALDH1A1MAPK1SMN1; SMN2GAA
SCHEMBL12528979 0.85 MCHR1 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL12529069 0.84 MCHR1 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL12529027 0.84 MAPT (0.62) MAPTALDH1A1SMN1; SMN2MCHR1CYP2C9

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 CA12 2612/4885CA1 1664/4885CA2 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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