SCHEMBL1749655

SCHEMBL1749655

O=C(O)NCC1CCN(c2ccc(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALOX5 P09917 1/20 0.54
MCHR1 Q99705 1/20 0.48
IDO1 P14902 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL1749653 1.00 MAPT (0.56) MAPTLMNAALDH1A1MEN1MAPK1
SCHEMBL1749089 0.94 MAPT (0.57) MAPTLMNAALDH1A1MEN1MAPK1
SCHEMBL1749378 0.86 MAPT (0.48) MAPTLMNAALDH1A1MEN1MAPK1
SCHEMBL1749761 0.86 MAPT (0.48) MAPTLMNAALDH1A1MEN1MAPK1
SCHEMBL27624723 0.80 MAPT (0.61) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL1748942 0.80 MAPT (0.56) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL12528961 0.80 SMN1; SMN2 (0.56) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL12528881 0.79 MCHR1 (0.75) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL1749654 0.79 MCHR1 (0.63) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL1748976 0.78 MAPT (0.58) MAPTLMNATP53SMN1; SMN2NPC1

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

“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.