SCHEMBL1750653

SCHEMBL1750653

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
ACACB O00763 7/20 0.43
ACACA Q13085 7/20 0.43
PRMT5 O14744 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CHRM4 P08173 2/20 0.39

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
SCHEMBL1750652 1.00 RORC (0.43) RORCACACBACACAPRMT5CKS1B
SCHEMBL1750650 0.82 PDE10A (0.40) MEN1KMT2ACHRM4
SCHEMBL7093978 0.79 CKS1B (0.52) ACACBACACACKS1BSKP1SKP2
SCHEMBL1749432 0.78 MCHR1 (0.40) MEN1KMT2ACHRM4
SCHEMBL1749428 0.78 MCHR1 (0.40) MEN1KMT2ACHRM4
SCHEMBL4288054 0.77 ACACB (0.47) ACACBACACACKS1BSKP1SKP2
SCHEMBL4288052 0.77 ACACB (0.47) ACACBACACACKS1BSKP1SKP2
SCHEMBL4294932 0.74 ALDH1A1 (0.51) ACACBACACACKS1BSKP1SKP2
SCHEMBL4294931 0.74 ALDH1A1 (0.51) ACACBACACACKS1BSKP1SKP2
SCHEMBL25080904 0.73 ACACB (0.47) ACACBACACACKS1BSKP1SKP2

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 RORC 585/4885ACACB 4048/4885ACACA 3818/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 RORC 558/4885ACACB 3866/4885ACACA 3918/4885

“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.