SCHEMBL1749216

SCHEMBL1749216

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 3/20 0.41
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
NOTUM Q6P988 1/20 0.40
ACACB O00763 3/20 0.39
NPY5R Q15761 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 1/20 0.38
HTT P42858 1/20 0.37
LCK P06239 2/20 0.37
KDR P35968 2/20 0.37
TEK Q02763 2/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL1749219 1.00 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL1749402 0.86 GAA (0.47) ALDH1A1LMNAMAPTGFERGAA
SCHEMBL1750144 0.86 EML4 (0.43) ALDH1A1MAPTGAANOTUMSMN1; SMN2
SCHEMBL1749232 0.85 GAA (0.41) ALDH1A1MAPTGFERGAANOTUM
SCHEMBL4259153 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL22164691 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL189139 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL4294688 0.84 PDE10A (0.43) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL4288048 0.84 PDE10A (0.43) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL1750148 0.84 FPR1 (0.36) GAAFPR1FPR2NOTUMNPY5R

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 ALDH1A1 286/4885LMNA 2677/4885MAPT 4824/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ALDH1A1 374/4885LMNA 2573/4885MAPT 4800/4885

“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.