SCHEMBL2636503

SCHEMBL2636503

CNc1ccc(N2CCC(NCC(C)=O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NAMPT P43490 2/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 9/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CASR P41180 2/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL2636329 0.86 GFER (0.47) MCHR1HDAC1HDAC8HDAC6NAMPT
SCHEMBL1749208 0.84 ALDH1A1 (0.54) MCHR1HDAC1HDAC8HDAC6NAMPT
SCHEMBL2636126 0.83 CASR (0.45) MCHR1HDAC1HDAC8HDAC6CASR
SCHEMBL6207647 0.83 TMEM97 (0.47) MCHR1HDAC1HDAC8HDAC6HRH3
SCHEMBL1751085 0.80 NPC1 (0.53) MCHR1NAMPTGAAKDM4EALDH1A1
SCHEMBL1749179 0.78 MAPT (0.47) MCHR1NAMPTGAAALDH1A1HRH3
SCHEMBL2636674 0.78 GAA (0.44) GAAHRH3
SCHEMBL1750063 0.77 MCHR1 (0.53) MCHR1HDAC8HDAC6NAMPTGAA
SCHEMBL1750755 0.77 MCHR1 (0.68) MCHR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6207691 0.77 MCHR1 (0.55) MCHR1GAAKDM4EALDH1A1LMNA

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 1838/4885HDAC1 2278/4885HDAC8 3207/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885HDAC1 2524/4885HDAC8 3215/4885

“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.