SCHEMBL1749237

SCHEMBL1749237

CCN(CC)CCN(C(C)=O)[C@@H]1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.40
CASP6 P55212 1/20 0.40
MCHR1 Q99705 7/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
ACHE P22303 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAOA P21397 1/20 0.37
HTR3A P46098 1/20 0.37
BLM P54132 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PMP22 Q01453 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL1749240 1.00 GFER (0.40) GFERCASP6MCHR1TSHRLMNA
SCHEMBL2636121 0.89 MCHR1 (0.45) MCHR1HRH3
SCHEMBL1749339 0.84 MAPT (0.53) TSHRLMNAALDH1A1MAPK1CYP2C19
SCHEMBL1749338 0.84 MAPT (0.53) TSHRLMNAALDH1A1MAPK1CYP2C19
SCHEMBL6206413 0.82 MAPT (0.50) MCHR1TSHRLMNAALDH1A1MAPK1
SCHEMBL12529516 0.77 MCHR1 (0.61) MCHR1LMNAALDH1A1MAPK1CYP2C19
SCHEMBL1750857 0.77 MCHR1 (0.58) GFERCASP6MCHR1HRH3MAP4K4
SCHEMBL1749414 0.77 MCHR1 (0.58) GFERCASP6MCHR1HRH3MAP4K4
SCHEMBL1750259 0.77 MCHR1 (0.58) GFERCASP6MCHR1HRH3MAP4K4
SCHEMBL12529512 0.76 MCHR1 (0.53) MCHR1

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-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
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP 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
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO 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 GFER 823/4885CASP6 2626/4885MCHR1 1838/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 GFER 637/4885CASP6 2272/4885MCHR1 2068/4885

“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.