SCHEMBL1748798

SCHEMBL1748798

CN(C)C1CCN(c2ccc(N)cc2C#N)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
BCL6 P41182 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
MAP4K4 O95819 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
USP2 O75604 1/20 0.38
JAK2 O60674 4/20 0.37
JAK3 P52333 3/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37

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
SCHEMBL6052098 0.92 MAPT (0.53) GAAMAPTHSD17B10KDM4ELMNA
SCHEMBL1750586 0.85 GAA (0.43) GAAMAPTHSD17B10KDM4ELMNA
SCHEMBL430031 0.84 NOS3 (0.49) BCL6CSNK2A2CSNK2BCSNK2A1EGLN2
SCHEMBL15586057 0.83 ALDH1A1 (0.44) GAAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL30221466 0.83 ALDH1A1 (0.44) GAAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL10036162 0.82 ALDH1A1 (0.54) GAAMAPTKDM4ELMNAALDH1A1
SCHEMBL1749921 0.82 ALDH1A1 (0.61) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL22164691 0.81 ALDH1A1 (0.48) GAAMAPTKDM4ELMNAALDH1A1
SCHEMBL189139 0.81 ALDH1A1 (0.48) GAAMAPTKDM4ELMNAALDH1A1
SCHEMBL4259153 0.81 ALDH1A1 (0.48) GAAMAPTKDM4ELMNAALDH1A1

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 GAA 1379/4885MAPT 4824/4885HSD17B10 1208/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 GAA 1364/4885MAPT 4800/4885HSD17B10 1211/4885

“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.