SCHEMBL12529076

SCHEMBL12529076

COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 10/20 0.55
▸ HTR1A P08908 9/20 0.55
▸ HTR1D P28221 9/20 0.55
▸ MCHR1 Q99705 3/20 0.54
▸ MAPT P10636 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ HTR2A P28223 5/20 0.47
▸ HTR2C P28335 4/20 0.47
▸ HTR6 P50406 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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 0.89 MAPT (0.65) HTR1BHTR1AHTR1DMCHR1MAPT
SCHEMBL12529040 0.88 CA12 (0.59) HTR1BHTR1AHTR1DMCHR1MAPT
SCHEMBL12529041 0.86 CA12 (0.61) HTR1BHTR1AHTR1DMCHR1MAPT
SCHEMBL12529075 0.85 HTR1A (0.62) HTR1BHTR1AHTR1DMCHR1MAPT
SCHEMBL12528764 0.83 MCHR1 (0.62) MCHR1MAPTSMN1; SMN2CA12CA1
SCHEMBL12528979 0.83 MCHR1 (0.48) HTR1BHTR1AHTR1DMCHR1MAPT
SCHEMBL12528878 0.81 MCHR1 (0.59) MCHR1MAPTSMN1; SMN2CA12CA1
SCHEMBL12529052 0.81 HTR1A (0.52) HTR1BHTR1AHTR1DMCHR1MAPT
SCHEMBL14415286 0.81 MCHR1 (0.56) HTR1BHTR1AHTR1DMCHR1MAPT
SCHEMBL12529081 0.80 POLB (0.52) HTR1BHTR1AHTR1DMCHR1MAPT

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 HTR1B 1299/4885HTR1A 1239/4885HTR1D 1297/4885

“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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