SCHEMBL1748296

SCHEMBL1748296

CCc1ccc(OCC(=O)Nc2ccc(N3CCC(NCC(C)=O)C3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
GAA P10253 2/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 11/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
REV1 Q9UBZ9 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 2/20 0.46
ALOX15 P16050 1/20 0.46
NR4A1 P22736 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
SCHEMBL1749172 0.88 GAA (0.54) KMT2AMEN1GAAPOLBMAPK1
SCHEMBL1749023 0.85 MAPT (0.49) KMT2AMEN1GAAPOLBMAPK1
SCHEMBL1749177 0.85 MAPT (0.49) KMT2AMEN1GAAPOLBMAPK1
SCHEMBL1749574 0.83 MCHR1 (0.47) KMT2AMEN1GAAPOLBMAPK1
SCHEMBL1748297 0.82 KMT2A (0.61) KMT2AMEN1GAAPOLBMAPK1
SCHEMBL1749465 0.82 RAB9A (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL1749502 0.80 NPC1 (0.55) KMT2AMEN1GAAMAPTNPC1
SCHEMBL1749208 0.80 ALDH1A1 (0.54) GAAPOLBMAPTNPC1RAB9A
SCHEMBL1751085 0.79 NPC1 (0.53) KMT2AMEN1GAAMAPTNPC1
SCHEMBL1749171 0.79 MAPT (0.63) KMT2AMEN1MAPTL3MBTL1NPC1

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 KMT2A 4320/4885MEN1 1308/4885GAA 1364/4885

“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.