SCHEMBL1750346

SCHEMBL1750346

O=C(O)NN1CC=C(c2ccc(Cl)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.39
GRM5 P41594 2/20 0.36
CNR2 P34972 1/20 0.36
EGLN1 Q9GZT9 3/20 0.35
WNT3A P56704 3/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2636728 0.83 NAMPT (0.46) NAMPTGRM5EGLN1SMN1; SMN2
SCHEMBL19376207 0.74 GRM5 (0.41) NAMPTGRM5CNR2EGLN1L3MBTL1
SCHEMBL21038282 0.74 SLC6A4 (0.46) WNT3A
SCHEMBL1367319 0.72 MAPT (0.38) EGLN1MAPTTHRBTSHRRAB9A
SCHEMBL29907164 0.71 GRM1 (0.55) NAMPTGRM5WNT3A
SCHEMBL1749492 0.71 GRM1 (0.55) NAMPTGRM5WNT3A
SCHEMBL18965043 0.70 KDM4E (0.42) NAMPTCNR2MAPTTHRBRAB9A
SCHEMBL30365847 0.70 GRM5 (0.52) NAMPTGRM5RAB9ASMN1; SMN2
SCHEMBL30899650 0.70 GRM5 (0.52) NAMPTGRM5RAB9ASMN1; SMN2
SCHEMBL31754733 0.68 CDK12 (0.65) WNT3AL3MBTL1TSHRRAB9A

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 NAMPT 292/4885GRM5 2738/4885CNR2 159/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 NAMPT 222/4885GRM5 2430/4885CNR2 141/4885

“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.