SCHEMBL1750831

SCHEMBL1750831

CNc1ccc(N2CCC(N(C)C(=O)CN(C)C)C2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 7/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
ACACB O00763 2/20 0.38
GAA P10253 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
JAK3 P52333 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CCR5 P51681 2/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1749511 0.87 FPR1 (0.44) NPY2RFPR1FPR2ACACBGAA
SCHEMBL1749267 0.81 FPR1 (0.48) NPY2RFPR1FPR2JAK3JAK2
SCHEMBL1749264 0.81 FPR1 (0.48) NPY2RFPR1FPR2JAK3JAK2
SCHEMBL12530271 0.78 MLNR (0.44) GAAJAK2CCR5
SCHEMBL12530504 0.77 MCHR1 (0.39) SMN1; SMN2
SCHEMBL12530496 0.76 MCHR1 (0.41) FPR1FPR2GAAMEN1MAPT
SCHEMBL1750086 0.75 FPR1 (0.44) NPY2RFPR1FPR2ACACBHRH3
SCHEMBL12530331 0.75 HRH3 (0.41) ACACBGAAHRH3HPGDSMN1; SMN2
SCHEMBL1749749 0.74 PTGS1 (0.47) NPY2RFPR1FPR2HRH3MEN1
SCHEMBL1749509 0.73 MAPT (0.42) NPY2RGAAMEN1MAPTKMT2A

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 NPY2R 2023/4885FPR1 463/4885FPR2 841/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 NPY2R 1801/4885FPR1 586/4885FPR2 782/4885

“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.