SCHEMBL378177

SCHEMBL378177

Cc1ccc2c(-c3n[nH]c(=S)n3C)cccc2n1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 9/20 0.57
GAA P10253 2/20 0.57
PKM P14618 1/20 0.56
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
APOBEC3G Q9HC16 5/20 0.44
HPGD P15428 4/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2282147 0.76 KDM4E (0.52) KDM4EALDH1A1GAAPKMPOLB
SCHEMBL11249229 0.75 ALDH1A1 (0.55) KDM4EALDH1A1POLBHPGDMEN1
SCHEMBL14077011 0.74 DRD3 (0.44) ALDH1A1
SCHEMBL8978544 0.72 ALDH1A1 (1.00) KDM4EALDH1A1GAAPKMPOLB
SCHEMBL4875426 0.71 DRD3 (0.43)
SCHEMBL14286462 0.71 HSP90AA1 (0.53) KDM4EALDH1A1GAAPOLBNPSR1
SCHEMBL2288901 0.70 HSD17B10 (0.56) KDM4EALDH1A1GAAPKMPOLB
SCHEMBL8978582 0.70 ALDH1A1 (0.71) KDM4EALDH1A1GAAPKMPOLB
SCHEMBL9222791 0.70 ALDH1A1 (0.71) KDM4EALDH1A1GAAPKMPOLB
SCHEMBL15452690 0.70 TGFBR1 (0.49) KDM4EALDH1A1GAAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HAMPRECHT DIETER (IT) 2012-08-02 US disclosed
EP-2060570-B1 Azabicyclo[3.1.0] hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
EP-2070922-B1 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LTD (GB) 2011-08-17 EP disclosed
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
EP-1917013-B1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LTD (GB) 2011-03-09 EP disclosed
US-7855298-B2 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-12-21 US disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1758890-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-03-07 EP disclosed
WO-2007022980-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
EP-1745040-A1 AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-01-24 EP disclosed
EP-1737851-A1 TETRAHYDROBENZAZEPINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005123717-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-12-29 WO disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 WO disclosed
WO-2005087764-A1 TETRAHYDROBENZAZEPINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) GLAXO GROUP LIMITED (GB) 2005-09-22 WO disclosed
WO-2005080382-A1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2005-09-01 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-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 KDM4E 2869/4885ALDH1A1 773/4885GAA 4807/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 KDM4E 4126/4885ALDH1A1 2186/4885GAA 9/4885

“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.