SCHEMBL1749023

SCHEMBL1749023

CCCCOc1ccc(CC(=O)Nc2ccc(N3CCC(NCC(C)=O)C3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
CYP2D6 P10635 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HIF1A Q16665 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MCHR1 Q99705 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 4/20 0.46
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL1749177 1.00 MAPT (0.49) MAPTCYP2D6MEN1CYP2C19KMT2A
SCHEMBL1749574 0.88 MCHR1 (0.47) MAPTCYP2D6MEN1CYP2C19KMT2A
SCHEMBL1749465 0.88 RAB9A (0.55) MAPTMEN1KMT2AALDH1A1MCHR1
SCHEMBL1749171 0.87 MAPT (0.63) MAPTMEN1KMT2AL3MBTL1HIF1A
SCHEMBL1749502 0.86 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1MCHR1
SCHEMBL1751085 0.86 NPC1 (0.53) MAPTMEN1KMT2AALDH1A1MCHR1
SCHEMBL1748296 0.85 KMT2A (0.60) MAPTCYP2D6MEN1CYP2C19KMT2A
SCHEMBL1749420 0.84 ACACB (0.56) MAPTHIF1AALDH1A1HPGDTSHR
SCHEMBL1749244 0.83 MAPT (0.63) MAPTMEN1KMT2AL3MBTL1HIF1A
SCHEMBL1750755 0.83 MCHR1 (0.68) MAPTMEN1KMT2AALDH1A1MCHR1

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 MAPT 4824/4885CYP2D6 7/4885MEN1 982/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885CYP2D6 7/4885MEN1 1308/4885

“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.