SCHEMBL1750650

SCHEMBL1750650

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
NPY2R P49146 3/20 0.39
GRM5 P41594 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
USP30 Q70CQ3 2/20 0.37
CCRL2 O00421 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTT P42858 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL1749428 0.90 MCHR1 (0.40) NPY2RGRM5MEN1KMT2AMAPT
SCHEMBL1749432 0.90 MCHR1 (0.40) NPY2RGRM5MEN1KMT2AMAPT
SCHEMBL1750653 0.82 RORC (0.43) MEN1KMT2ACHRM4
SCHEMBL1750652 0.82 RORC (0.43) MEN1KMT2ACHRM4
SCHEMBL6207573 0.79 FPR1 (0.41) PDE10ANPY2RMEN1KMT2AMAPT
SCHEMBL6205966 0.78 PTGS1 (0.41) PDE10ANPY2RMEN1KMT2AMAPT
SCHEMBL24628490 0.75 PDE10A (0.45) PDE10AGRM5MAPTUSP30HSD11B1
SCHEMBL4288048 0.75 PDE10A (0.43) PDE10AJAK2JAK1MAPTUSP30
SCHEMBL31485219 0.75 PDE10A (0.43) PDE10AMAPTUSP30HSD11B1HTT
SCHEMBL29772858 0.75 PDE10A (0.45) PDE10AGRM5MAPTUSP30HSD11B1

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 PDE10A 888/4885NPY2R 2023/4885GRM5 2738/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 PDE10A 787/4885NPY2R 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.