SCHEMBL379199

SCHEMBL379199

Cn1c(SCCCCl)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DRD3 P35462 15/20 0.53
DRD2 P14416 13/20 0.53
KCNH2 Q12809 10/20 0.53
HRH1 P35367 1/20 0.53
HDAC3 O15379 1/20 0.51
PTK2 Q05397 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL18758237 0.85 NPC1 (0.76) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL17712729 0.84 HDAC3 (0.69) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL20840889 0.83 NPC1 (0.60) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL4385569 0.82 DRD2 (0.71) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL18758357 0.81 NPC1 (0.58) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL17713086 0.80 NPC1 (0.56) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL378553 0.80 DRD3 (0.54) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL17712975 0.79 NPC1 (0.56) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL17712844 0.79 HPGD (0.58) NPC1RAB9AMEN1CYP1A2CYP2C19
SCHEMBL17713006 0.79 NPC1 (0.55) NPC1RAB9AMEN1CYP1A2CYP2C19

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 35 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
CN-101291669-B Use of azabicyclo hexane derivatives GLAXO GROUP LTD 2012-09-26 CN 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
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US 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
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
CN-101291669-A Use of azabicyclo hexane derivatives GLAXO GROUP LTD (GB) 2008-10-22 CN disclosed
EP-1917013-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2008-05-07 EP 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
CN-1946714-A Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LTD (GB) 2007-04-11 CN 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
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

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-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 NPC1 2412/4885RAB9A 1474/4885MEN1 3416/4885
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor DRD3, HTR3C, GRIN3A NPC1 2170/4885RAB9A 1955/4885MEN1 3873/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 NPC1 943/4885RAB9A 1989/4885MEN1 841/4885

“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.