SCHEMBL3980374

SCHEMBL3980374

Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@@]3(c3ccc(C(F)(F)F)cc3F)C2)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 1.00
KCNH2 Q12809 19/20 1.00
DRD2 P14416 14/20 1.00
DRD4 P21917 1/20 1.00
CYP1A2 P05177 1/20 0.79
CYP2C19 P33261 1/20 0.77

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
SCHEMBL3243567 1.00 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL13079532 1.00 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL1407749 1.00 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL1407940 1.00 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL1407943 1.00 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2
Hydrochloric Acid SCHEMBL1407735 0.99 DRD3 (0.98) DRD3KCNH2DRD2DRD4CYP1A2
Hydrochloric Acid SCHEMBL4259820 0.99 DRD3 (0.98) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL11914910 0.94 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL12313275 0.94 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL378184 0.94 DRD3 (1.00) DRD3KCNH2DRD2DRD4CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-06-17 US disclosed
EP-2054054-A1 USE OF AZABICYCLO HEXANE DERIVATIVES Glaxo Group Limited (GB) 2009-05-06 EP disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
US-20080058398-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058398-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2008022994-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2008-02-28 WO 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
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

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-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 DRD3 1/4885KCNH2 192/4885DRD2 3/4885
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 DRD3 1/4885KCNH2 176/4885DRD2 3/4885
US-20080058398-A1 Compounds TPMT, PPP4C, SLCO4C1 DRD3 2001/4885KCNH2 1730/4885DRD2 3033/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT DRD3 152/4885KCNH2 3743/4885DRD2 279/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 DRD3 1131/4885KCNH2 4867/4885DRD2 772/4885

“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.