SCHEMBL1749035

SCHEMBL1749035

CC(=O)N(C)C1CCN(c2ccc(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.64
HRH3 Q9Y5N1 2/20 0.58
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALOX5 P09917 1/20 0.47
IDO1 P14902 1/20 0.46
NAMPT P43490 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL1748965 0.94 MCHR1 (0.58) MCHR1HRH3MAPTLMNASMN1; SMN2
SCHEMBL1749654 0.93 MCHR1 (0.63) MCHR1HRH3MAPTLMNASMN1; SMN2
SCHEMBL12528881 0.92 MCHR1 (0.75) MCHR1HRH3MAPTLMNASMN1; SMN2
SCHEMBL1749301 0.91 HRH3 (0.58) MCHR1HRH3MAPTLMNASMN1; SMN2
SCHEMBL1748916 0.90 HRH3 (0.58) MCHR1HRH3MAPTSMN1; SMN2NPC1
SCHEMBL1749685 0.90 MCHR1 (0.63) MCHR1HRH3MAPTLMNASMN1; SMN2
SCHEMBL12528065 0.90 MCHR1 (0.59) MCHR1HRH3MAPTLMNASMN1; SMN2
SCHEMBL1749474 0.89 HRH3 (0.56) MCHR1HRH3MAPTNPC1RAB9A
SCHEMBL1749057 0.89 HRH3 (0.56) MCHR1HRH3MAPTSMN1; SMN2CA12
SCHEMBL12528046 0.88 MCHR1 (0.57) MCHR1HRH3MAPTLMNASMN1; SMN2

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 6 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-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-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-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 MCHR1 2068/4885HRH3 748/4885MAPT 4800/4885

“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.