SCHEMBL12529145

SCHEMBL12529145

CN(C)C1CCN(c2ccc(NC(=O)N3CCC(c4ccc(F)cc4)C3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.67
▸ NPC1 O15118 6/20 0.67
▸ RAB9A P51151 6/20 0.67
▸ MCHR1 Q99705 7/20 0.57
▸ TP53 P04637 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 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
SCHEMBL12528933 0.95 MCHR1 (0.61) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL12529144 0.90 MCHR1 (0.71) MAPTNPC1RAB9AMCHR1TP53
SCHEMBL12529150 0.88 MAPT (0.51) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL1748916 0.87 HRH3 (0.58) MAPTNPC1RAB9AMCHR1SMN1; SMN2
SCHEMBL12529018 0.86 CA12 (0.63) MAPTNPC1RAB9AMCHR1SMN1; SMN2
SCHEMBL12528889 0.86 MCHR1 (0.62) MAPTNPC1RAB9AMCHR1TP53
SCHEMBL12528886 0.85 MCHR1 (0.59) MAPTNPC1RAB9AMCHR1HRH3
SCHEMBL12528881 0.85 MCHR1 (0.75) MAPTNPC1RAB9AMCHR1TP53
SCHEMBL12528950 0.85 MCHR1 (0.74) MAPTNPC1RAB9AMCHR1TP53
SCHEMBL12528934 0.83 MCHR1 (0.59) MAPTNPC1RAB9AMCHR1HRH3

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 MAPT 4800/4885NPC1 1718/4885RAB9A 4386/4885

“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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