SCHEMBL1749172

SCHEMBL1749172

CC(=O)CNC1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 8/20 0.51
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
NR4A1 P22736 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL1748296 0.88 KMT2A (0.60) GAAMAPK1POLBNPC1RAB9A
SCHEMBL1749174 0.82 GAA (0.55) GAAMAPK1POLBNPC1RAB9A
SCHEMBL12529212 0.82 GAA (0.57) GAAMAPK1POLBNPC1RAB9A
SCHEMBL1750456 0.82 ACACB (0.49)
SCHEMBL1749574 0.82 MCHR1 (0.47) GAAMAPK1POLBNPC1RAB9A
SCHEMBL1749420 0.81 ACACB (0.56) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL1749415 0.81 ACACB (0.59)
SCHEMBL1749383 0.80 ACACB (0.61)
SCHEMBL1749676 0.80 MAPT (0.53) GAAMAPK1NPC1RAB9AALDH1A1
SCHEMBL1748977 0.80 MCHR1 (0.51) POLBNPC1RAB9AALDH1A1MAPT

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 GAA 1364/4885MAPK1 745/4885POLB 1617/4885

“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.