SCHEMBL12529045

SCHEMBL12529045

COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MCHR1 Q99705 4/20 0.63
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ PTPN7 P35236 1/20 0.61
▸ LMNA P02545 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ NAMPT P43490 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ HTR1D P28221 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL12528764 0.92 MCHR1 (0.62) MAPTSMN1; SMN2MCHR1CA12CA1
SCHEMBL12529041 0.91 CA12 (0.61) MAPTSMN1; SMN2MCHR1CA12CA1
SCHEMBL12528878 0.90 MCHR1 (0.59) MAPTSMN1; SMN2MCHR1CA12CA1
SCHEMBL12529076 0.89 HTR1B (0.55) MAPTSMN1; SMN2MCHR1CA12CA1
SCHEMBL12529068 0.88 MCHR1 (0.57) MAPTSMN1; SMN2MCHR1CA12CA1
SCHEMBL12528993 0.88 MCHR1 (0.65) MAPTMCHR1CA12CA1CA2
SCHEMBL12528808 0.88 MCHR1 (0.56) MAPTSMN1; SMN2MCHR1ALDH1A1
SCHEMBL12529027 0.88 MAPT (0.62) MAPTSMN1; SMN2MCHR1ALDH1A1TP53
SCHEMBL12529014 0.87 MCHR1 (0.65) MAPTSMN1; SMN2MCHR1CA12CA1
SCHEMBL12529018 0.87 CA12 (0.63) MAPTSMN1; SMN2MCHR1CA12CA1

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 MAPT 4800/4885SMN1; SMN2 1946/4885MCHR1 2068/4885

“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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