SCHEMBL378266

SCHEMBL378266

COc1cccc(C23CNCC2C3)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.60
SLC6A2 P23975 8/20 0.60
SLC6A3 Q01959 8/20 0.60
KCNH2 Q12809 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM1A O60341 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
SCHEMBL11911750 1.00 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
SCHEMBL12313160 1.00 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
Hydrochloric Acid SCHEMBL11078562 0.98 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
SCHEMBL10997850 0.85 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
SCHEMBL19261812 0.85 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
SCHEMBL4176924 0.85 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
Hydrochloric Acid SCHEMBL4194630 0.84 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
SCHEMBL30272550 0.84 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
SCHEMBL4078009 0.83 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2
SCHEMBL6003532 0.83 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021488-A1 Method for treating nervous system disorders and conditions WYETH (US) 2007-01-25 US claimed
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-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-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
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
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
EP-1917013-B1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LTD (GB) 2011-03-09 EP disclosed
EP-2060570-A2 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors Glaxo Group Limited (GB) 2009-05-20 EP disclosed
EP-2060570-A2 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors Glaxo Group Limited (GB) 2009-05-20 EP disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
EP-1917013-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2008-05-07 EP disclosed
EP-1904059-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2008-04-02 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
WO-2007022980-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
WO-2007013936-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH (US) 2007-02-01 WO disclosed
US-20070021488-A1 Method for treating nervous system disorders and conditions WYETH (US) 2007-01-25 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 (4 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 SLC6A4 415/4885SLC6A2 478/4885SLC6A3 15/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT SLC6A4 358/4885SLC6A2 894/4885SLC6A3 30/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 SLC6A4 395/4885SLC6A2 360/4885SLC6A3 18/4885
US-20070021488-A1 Method for treating nervous system disorders and conditions AVPR1B, AVPR2, AVPR1A SLC6A4 145/4885SLC6A2 33/4885SLC6A3 100/4885

“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.