SCHEMBL12529084

SCHEMBL12529084

Cc1cccc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2C)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HTT P42858 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MCHR1 Q99705 6/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL12529022 0.88 CA12 (0.65) MAPK1GAAALDH1A1MAPTLMNA
SCHEMBL12529068 0.83 MCHR1 (0.57) GFERMAPK1GAAALDH1A1MAPT
SCHEMBL12528938 0.80 MCHR1 (0.60) MAPTHTTMCHR1CA12CA1
SCHEMBL12529027 0.79 MAPT (0.62) ALDH1A1MAPTMCHR1HRH3SMN1; SMN2
SCHEMBL12528993 0.79 MCHR1 (0.65) MAPK1MAPTHTTMEN1KMT2A
SCHEMBL12529009 0.78 MAPT (0.62) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL12528806 0.78 MCHR1 (0.55) MAPTHTTMCHR1HRH3
SCHEMBL12529052 0.77 HTR1A (0.52) ALDH1A1MAPTMCHR1CA12CA1
SCHEMBL12529088 0.77 HRH3 (0.60) MCHR1HRH3
SCHEMBL12529041 0.77 CA12 (0.61) MAPK1GAAALDH1A1MAPTLMNA

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 GFER 637/4885MAPK1 745/4885GAA 1364/4885

“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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