SCHEMBL4077178

SCHEMBL4077178

CC(C)N1CC2CC2(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.41
KCNH2 Q12809 10/20 0.41
DRD2 P14416 8/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
BMPR1B O00238 3/20 0.40
BMPR1A P36894 3/20 0.40
TGFBR1 P36897 3/20 0.40
ACVRL1 P37023 3/20 0.40
ACVR1 Q04771 3/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL378642 0.87 DRD3 (0.40) DRD3KCNH2DRD2CYP1A2
SCHEMBL378650 0.84 DRD3 (0.40) DRD3KCNH2DRD2BMPR1BBMPR1A
SCHEMBL4072181 0.84 BMPR1B (0.42) DRD3KCNH2DRD2BMPR1BBMPR1A
SCHEMBL4594642 0.83 DRD3 (0.41) DRD3KCNH2DRD2MAOAMAOB
Hexane SCHEMBL378364 0.82 DRD3 (0.39) DRD3KCNH2DRD2CYP1A2
SCHEMBL4248782 0.82 KCNH2 (0.45) DRD3KCNH2DRD2BMPR1BBMPR1A
SCHEMBL6003397 0.82 KCNH2 (0.45) DRD3KCNH2DRD2BMPR1BBMPR1A
SCHEMBL4072727 0.82 KCNH2 (0.45) DRD3KCNH2DRD2BMPR1BBMPR1A
SCHEMBL6003627 0.81 DRD3 (0.46) DRD3KCNH2DRD2MAOAMAOB
SCHEMBL20995218 0.81 BMPR1B (0.42) DRD3KCNH2DRD2BMPR1BBMPR1A

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
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
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
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-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 (1 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-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.