SCHEMBL4551340

SCHEMBL4551340

CN1CC2CC2(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.46
KCNH2 Q12809 7/20 0.46
DRD2 P14416 6/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL6003488 1.00 DRD3 (0.46) DRD3KCNH2DRD2MAOAMAOB
SCHEMBL6003627 1.00 DRD3 (0.46) DRD3KCNH2DRD2MAOAMAOB
SCHEMBL4076265 0.82 SLC6A4 (0.49) DRD3KCNH2DRD2
SCHEMBL6003533 0.81 DRD3 (0.54) DRD3KCNH2DRD2
SCHEMBL6003466 0.81 DRD3 (0.51) DRD3KCNH2DRD2
SCHEMBL4077178 0.81 DRD3 (0.41) DRD3KCNH2DRD2MAOAMAOB
SCHEMBL6003999 0.80 KCNH2 (0.49) DRD3KCNH2DRD2
SCHEMBL6003376 0.80 KCNH2 (0.49) DRD3KCNH2DRD2
SCHEMBL5433122 0.80 KCNH2 (0.49) DRD3KCNH2DRD2
SCHEMBL10107827 0.79 DRD3 (0.57) DRD3KCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US claimed
EP-1874298-A4 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV PHARMACEUTICAL INC (US) 2009-08-05 EP disclosed
WO-2009043883-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 WO disclosed
EP-1874298-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV Pharmaceutical Inc. (US) 2008-01-09 EP disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US disclosed
WO-2006096810-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3.1.0] HEXANES DOV PHARMACEUTICAL, INC. (US) 2006-09-14 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-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 DRD3 3066/4885KCNH2 1387/4885DRD2 3505/4885
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 DRD3 239/4885KCNH2 936/4885DRD2 227/4885

“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.