SCHEMBL2262940

SCHEMBL2262940

COc1cccc(CNC2CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.60
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 1/20 0.43
CXCR4 P61073 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ADORA2A P29274 1/20 0.39
IDH1 O75874 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL13490842 0.83 KDM1A (0.44) KDM1AMAOAMAOBKCNH2ALDH1A1
SCHEMBL2259091 0.78 KDM1A (0.57) KDM1AMAOAMAOBKCNH2ALDH1A1
SCHEMBL14095940 0.78 MEN1 (0.46) KDM1AMAOAMAOB
SCHEMBL8485251 0.78 KDM1A (0.52) KDM1AMAOAMAOBKCNH2CXCR4
SCHEMBL238928 0.76 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL16602319 0.76 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL238927 0.76 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL14626155 0.75 KDM1A (0.48) KDM1AMAOAMAOBADORA2A
SCHEMBL2258742 0.75 KDM1A (0.50) KDM1AMAOAMAOBCXCR4ADORA2A
SCHEMBL21003221 0.74 ALDH1A1 (0.41) KDM1AMAOAMAOBKCNH2ALDH1A1

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-8003654-B2 N-glycinsulfonamide derivatives and uses as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-05 US disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
US-7332608-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-19 US disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO disclosed
US-7235690-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-24 US disclosed
US-20030187033-A1 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-02 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 (3 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-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS HCRTR2, HCRTR1, NPSR1 KDM1A 1269/4885MAOA 1062/4885MAOB 1249/4885
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE KCNH1, KCNH2, KCNJ2 KDM1A 241/4885MAOA 920/4885MAOB 1481/4885
US-20030187033-A1 Anthranilamides and methods of their use KCNH1, KCNJ2, KCNH2 KDM1A 202/4885MAOA 1044/4885MAOB 1773/4885

“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.