SCHEMBL1749654

SCHEMBL1749654

CN(C(=O)O)[C@@H]1CCN(c2ccc(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
HRH3 Q9Y5N1 1/20 0.50
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALOX5 P09917 1/20 0.46
TSHR P16473 1/20 0.45
NAMPT P43490 1/20 0.44
TRPV1 Q8NER1 1/20 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
SCHEMBL1749090 0.94 MAPT (0.57) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL1749035 0.93 MCHR1 (0.64) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL12528881 0.91 MCHR1 (0.75) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL12528065 0.89 MCHR1 (0.59) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL12528046 0.87 MCHR1 (0.57) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL1748965 0.87 MCHR1 (0.58) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL12528054 0.87 MCHR1 (0.56) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL1749379 0.86 MAPT (0.48) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL12529144 0.86 MCHR1 (0.71) MCHR1SMN1; SMN2TP53LMNAMAPT
SCHEMBL1749508 0.85 MCHR1 (0.59) MCHR1SMN1; SMN2TP53LMNAMAPT

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 MCHR1 1838/4885SMN1; SMN2 1857/4885TP53 4123/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885SMN1; SMN2 1946/4885TP53 4172/4885

“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.