SCHEMBL1750737

SCHEMBL1750737

O=C(O)c1ccc(COc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.58
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
RXRA P19793 10/20 0.55
RXRB P28702 9/20 0.55
RXRG P48443 5/20 0.55
HPGD P15428 1/20 0.55
SRD5A2 P31213 1/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
PLA2G4B P0C869 1/20 0.51
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5487783 0.86 PARP10 (0.58) NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL14967550 0.84 POLB (0.55) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL10055039 0.84 NPC1 (0.68) HPGDPOLBNPC1ALDH1A1CYP2D6
SCHEMBL18355565 0.83 ALDH1A1 (0.52) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL4320922 0.83 PKM (0.67) HPGDPOLBNPC1ALDH1A1CYP2D6
SCHEMBL223680 0.82 ALDH1A1 (0.61) HPGDNPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL29816629 0.82 ALDH1A1 (0.61) HPGDNPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL16188933 0.81 FFAR1 (0.65) NPC1ALDH1A1CYP2D6CYP2C19
Formaldehyde SCHEMBL29285221 0.81 CYP2C19 (0.56) NR4A2NR4A1NR4A3POLBNPC1
SCHEMBL3392392 0.80 RAB9A (0.50) NPC1ALDH1A1CYP2D6CYP2C19RAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
US-8357686-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-01-22 US disclosed
US-8163741-B2 Use of aryl-substituted polycyclic amines as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 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-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
US-20090258872-A1 USE OF ARYL-SUBSTITUTED POLYCYCLIC AMINES AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-15 US disclosed
US-20090258881-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-15 US disclosed
US-7569583-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-04 US disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20070197584-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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
EP-1781663-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 EP disclosed
EP-1781656-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 EP disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP disclosed
WO-2006018279-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 WO disclosed
WO-2006018280-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 WO 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 (5 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-20070197584-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT NR4A2 2234/4885NR4A1 1049/4885NR4A3 1927/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 NR4A2 1119/4885NR4A1 596/4885NR4A3 1171/4885
US-20090258872-A1 USE OF ARYL-SUBSTITUTED POLYCYCLIC AMINES AS MEDICAMENTS AADAT, NAT1, OAT NR4A2 1757/4885NR4A1 846/4885NR4A3 1781/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT NR4A2 2181/4885NR4A1 972/4885NR4A3 1851/4885
US-20090258881-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT NR4A2 2234/4885NR4A1 1049/4885NR4A3 1927/4885

“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.