SCHEMBL1749595

SCHEMBL1749595

CN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.50
MAOA P21397 2/20 0.49
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
DEGS1 O15121 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
STAT3 P40763 3/20 0.40
SLC18A3 Q16572 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL6205575 0.84 MCHR1 (0.42) MCHR1MAOAHDAC8HDAC6HDAC1
SCHEMBL2127770 0.82 KMT2A (0.50) MAOAEGFRERBB2ALDH1A1MAPT
SCHEMBL8581201 0.82 KMT2A (0.50) MAOAEGFRERBB2ALDH1A1MAPT
SCHEMBL22453195 0.79 SLC18A3 (0.44) HDAC8HDAC6HDAC1STAT3SLC18A3
SCHEMBL29803716 0.78 MAOA (0.49) MCHR1MAOAEGFRERBB2SLC18A3
SCHEMBL27624541 0.78 MCHR1 (0.48) MCHR1MAOAHDAC8HDAC6HDAC1
SCHEMBL1749247 0.78 MCHR1 (0.44) MCHR1MAOAHDAC8HDAC6HDAC1
SCHEMBL9504819 0.77 HDAC8 (0.53) MCHR1HDAC8HDAC6HDAC1HDAC3
Cyclopropane SCHEMBL28956243 0.77 NR1H4 (0.47) MAOAHDAC6HDAC3EGFRERBB2
SCHEMBL27624646 0.77 MCHR1 (0.40) MCHR1MAOAHDAC8HDAC6HDAC1

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 8 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
CN-100506792-C Substituted N-aryl heterocycles, method for the production thereof and their use as medicaments AVENTIS PHARMA GMBH (DE) 2009-07-01 CN 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
CN-1774418-A Substituted N-arylheterocycles, method for production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2006-05-17 CN disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP 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
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO 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 1838/4885MAOA 253/4885HDAC8 3207/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885MAOA 220/4885HDAC8 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.