SCHEMBL1749779

SCHEMBL1749779

CC(=O)CNC1CCN(c2ccc(NC(=O)c3ccccc3S(=O)(=O)c3ccccc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.48
MAPT P10636 5/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAMPT P43490 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
MCL1 Q07820 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
AHR P35869 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL1749775 0.87 MCHR1 (0.59) MCHR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1749538 0.77 MCHR1 (0.60) MCHR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL1749100 0.74 MCHR1 (0.52) MCHR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2636503 0.74 MCHR1 (0.46) MCHR1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL1749208 0.74 ALDH1A1 (0.54) MCHR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL1749126 0.74 MAPT (0.65) MCHR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL1750755 0.74 MCHR1 (0.68) MCHR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2636329 0.72 GFER (0.47) MCHR1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL1750063 0.72 MCHR1 (0.53) MCHR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL1749502 0.72 NPC1 (0.55) MCHR1MAPTRAB9ANPC1ALDH1A1

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 3 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-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

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 2068/4885MAPT 4800/4885RAB9A 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.