SCHEMBL1749472

SCHEMBL1749472

Nc1ccc(N2CCC(CNC(=O)O)C2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 9/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKT1 P31749 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 1/20 0.39
CREBBP Q92793 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL1749741 0.83 RPS6KB1 (0.40) RPS6KB1KDM4EALDH1A1HPGDMAPT
SCHEMBL1749516 0.80 NOTUM (0.40) RPS6KB1KDM4EALDH1A1HPGDMAPT
SCHEMBL17612866 0.78 NOTUM (0.61) KEAP1NFE2L2NOTUM
SCHEMBL24811432 0.78 NOTUM (0.61) KEAP1NFE2L2NOTUM
SCHEMBL17599441 0.78 NOTUM (0.61) KEAP1NFE2L2NOTUM
SCHEMBL1749401 0.78 MAPT (0.46) RPS6KB1KDM4EALDH1A1HPGDMAPT
SCHEMBL1749815 0.78 GAA (0.40) RPS6KB1ALDH1A1MAPTTDP1NOTUM
SCHEMBL1749277 0.77 CHRM4 (0.40) RPS6KB1KDM4EALDH1A1HPGDMAPT
SCHEMBL1749215 0.77 ALDH1A1 (0.44) RPS6KB1ALDH1A1MAPTTDP1NOTUM
SCHEMBL1749230 0.77 RPS6KB1 (0.39) RPS6KB1KDM4EALDH1A1HPGDMAPT

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 4 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
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (2 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 RPS6KB1 3306/4885KDM4E 2966/4885ALDH1A1 286/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 RPS6KB1 3742/4885KDM4E 2896/4885ALDH1A1 374/4885

“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.