SCHEMBL4076265

SCHEMBL4076265

CN1CC2CC2(c2ccc(F)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.49
SLC6A2 P23975 8/20 0.49
SLC6A3 Q01959 8/20 0.49
KCNH2 Q12809 3/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
CYP2D6 P10635 4/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6003999 0.84 KCNH2 (0.49) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL6003376 0.84 KCNH2 (0.49) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL5433122 0.84 KCNH2 (0.49) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL13823322 0.83 KCNH2 (0.48) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL20740744 0.83 KCNH2 (0.48) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL27158028 0.83 KCNH2 (0.48) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL11472691 0.83 KCNH2 (0.51) SLC6A4SLC6A2SLC6A3KCNH2DRD2
Hydrochloric Acid SCHEMBL5440038 0.83 KCNH2 (0.48) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL11463570 0.82 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL6003488 0.82 DRD3 (0.46) KCNH2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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 claimed
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

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 SLC6A4 1519/4885SLC6A2 1776/4885SLC6A3 955/4885
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 SLC6A4 44/4885SLC6A2 14/4885SLC6A3 2/4885

“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.