SCHEMBL12529052

SCHEMBL12529052

Cc1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.52
▸ HTR1D P28221 2/20 0.52
▸ HTR1B P28222 2/20 0.52
▸ MCHR1 Q99705 10/20 0.50
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL12529027 0.89 MAPT (0.62) MCHR1MAPTTP53POLBSMN1; SMN2
SCHEMBL12529020 0.88 MCHR1 (0.57) HTR1AHTR1DHTR1BMCHR1MAPT
SCHEMBL12529022 0.85 CA12 (0.65) MCHR1MAPTTP53POLBSMN1; SMN2
SCHEMBL12529069 0.85 MCHR1 (0.53) MCHR1MAPTTP53POLBSMN1; SMN2
SCHEMBL14415286 0.84 MCHR1 (0.56) HTR1AHTR1DHTR1BMCHR1MAPT
SCHEMBL12529081 0.83 POLB (0.52) HTR1AHTR1DHTR1BMCHR1MAPT
SCHEMBL12528806 0.83 MCHR1 (0.55) MCHR1MAPTHRH3
SCHEMBL12528808 0.82 MCHR1 (0.56) MCHR1MAPTPOLBSMN1; SMN2HRH3
SCHEMBL12528993 0.82 MCHR1 (0.65) MCHR1MAPTPOLBHRH3CA12
SCHEMBL12529006 0.82 SMN1; SMN2 (0.60) HTR1AHTR1DHTR1BMCHR1SMN1; SMN2

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

“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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