SCHEMBL2054564

SCHEMBL2054564

c1ccc(C23CNC[C@H]2C3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.68
SLC6A4 P31645 8/20 0.68
SLC6A3 Q01959 8/20 0.68
KCNH2 Q12809 2/20 0.68
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL10819294 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL4557697 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL4761442 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL14520924 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL14520923 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
Hydrochloric Acid SCHEMBL4326374 0.98 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL4713453 0.89 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3KCNH2DRD2
Hexane SCHEMBL4713252 0.88 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL30272567 0.86 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL11083508 0.85 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2DRD2

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
EP-2007751-B1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP 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-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
US-7807698-B2 Azabicyclo[3.1.0]hexane derivatives as modulators of the dopamine D3 receptor GLAXO GROUP LIMITED (GB) 2010-10-05 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
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
US-20080227837-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2008-09-18 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 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 (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-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, HTR3A SLC6A2 512/4885SLC6A4 301/4885SLC6A3 13/4885
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 SLC6A2 654/4885SLC6A4 660/4885SLC6A3 26/4885
US-20080227837-A1 Novel Compounds HTR5A, NPY5R, DRD3 SLC6A2 313/4885SLC6A4 137/4885SLC6A3 10/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 SLC6A2 2528/4885SLC6A4 2034/4885SLC6A3 1145/4885
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, DRD1 SLC6A2 738/4885SLC6A4 493/4885SLC6A3 18/4885

“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.