SCHEMBL12528938

SCHEMBL12528938

Cc1cccc(C2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.60
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ TP53 P04637 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ TSHR P16473 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
SCHEMBL12528934 0.90 MCHR1 (0.59) MCHR1HRH3NPC1RAB9AMAPT
SCHEMBL12528950 0.89 MCHR1 (0.74) MCHR1HRH3NPC1RAB9ATP53
SCHEMBL12529129 0.89 MCHR1 (0.58) MCHR1HRH3NPC1RAB9ATP53
SCHEMBL12528889 0.88 MCHR1 (0.62) MCHR1HRH3NPC1RAB9ATP53
SCHEMBL12528910 0.88 MCHR1 (0.57) MCHR1CA12CA1CA2CA9
SCHEMBL12529022 0.86 CA12 (0.65) MCHR1CA12CA1CA2CA9
SCHEMBL12528913 0.86 MCHR1 (0.59) MCHR1HRH3NPC1RAB9ATP53
SCHEMBL12528881 0.83 MCHR1 (0.75) MCHR1CA12CA2CA9HRH3
SCHEMBL12528933 0.83 MCHR1 (0.61) MCHR1CA12CA1CA2CA9
SCHEMBL1750525 0.83 HRH3 (0.55) MCHR1HRH3NPC1RAB9ATP53

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 2068/4885CA12 2612/4885CA1 1664/4885

“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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