SCHEMBL12528764

SCHEMBL12528764

COc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(N4CC[C@@H](N(C)C)C4)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.62
▸ NAMPT P43490 2/20 0.61
▸ MAPT P10636 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP3A4 P08684 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ PRKAB2 O43741 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA2 P54646 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PRKAG3 Q9UGI9 1/20 0.52
▸ PRKAG2 Q9UGJ0 1/20 0.52
▸ PRKAB1 Q9Y478 1/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ PTPN7 P35236 1/20 0.52
▸ CYP1A2 P05177 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
SCHEMBL12529045 0.92 MAPT (0.65) MCHR1NAMPTMAPTSMN1; SMN2KMT2A
SCHEMBL12528767 0.88 MCHR1 (0.64) MCHR1NAMPTMAPTSMN1; SMN2CYP3A4
SCHEMBL12528757 0.88 MCHR1 (0.64) MCHR1NAMPT
SCHEMBL12528878 0.86 MCHR1 (0.59) MCHR1MAPTSMN1; SMN2KMT2ACA12
SCHEMBL12529068 0.85 MCHR1 (0.57) MCHR1MAPTSMN1; SMN2CA12CA1
SCHEMBL12529041 0.83 CA12 (0.61) MCHR1NAMPTMAPTSMN1; SMN2KMT2A
SCHEMBL12529076 0.83 HTR1B (0.55) MCHR1MAPTSMN1; SMN2CA12CA1
SCHEMBL12529239 0.83 MCHR1 (0.79) MCHR1MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL12529046 0.83 MAPT (0.66) MCHR1NAMPTMAPTSMN1; SMN2HPGD
SCHEMBL12529873 0.81 MCHR1 (0.72) MCHR1MAPTSMN1; SMN2USP2KMT2A

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 2068/4885NAMPT 222/4885MAPT 4800/4885

“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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