SCHEMBL1749428

SCHEMBL1749428

CN(C(=O)O)[C@@H]1CCN(c2ccc(NCC(=O)OCc3ccccc3)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.40
NPY2R P49146 2/20 0.40
GRM5 P41594 1/20 0.39
UBE2M P61081 5/20 0.38
DCUN1D1 Q96GG9 5/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL1749432 1.00 MCHR1 (0.40) MCHR1NPY2RGRM5UBE2MDCUN1D1
SCHEMBL1750650 0.90 PDE10A (0.40) NPY2RGRM5MEN1MAPTKMT2A
SCHEMBL1749511 0.79 FPR1 (0.44) MCHR1NPY2RMEN1MAPTKMT2A
SCHEMBL1750653 0.78 RORC (0.43) MEN1KMT2ACHRM4
SCHEMBL1750652 0.78 RORC (0.43) MEN1KMT2ACHRM4
SCHEMBL1750086 0.76 FPR1 (0.44) MCHR1NPY2RUBE2MDCUN1D1MEN1
SCHEMBL1749749 0.75 PTGS1 (0.47) MCHR1NPY2RMEN1MAPTKMT2A
SCHEMBL1750594 0.74 MCHR1 (0.53) MCHR1MEN1MAPTKMT2A
SCHEMBL1750596 0.74 MCHR1 (0.53) MCHR1MEN1MAPTKMT2A
SCHEMBL1749219 0.72 ALDH1A1 (0.45) MAPTHTTFPR1FPR2

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 MCHR1 1838/4885NPY2R 2023/4885GRM5 2738/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885NPY2R 1801/4885GRM5 2430/4885

“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.