SCHEMBL3468930

SCHEMBL3468930

C[C@@]12CNC[C@]1(c1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
SLC6A3 Q01959 4/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2C P28335 2/20 0.35
DAO P14920 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL2895515 1.00 OPRM1 (0.42) OPRM1OPRL1MAOAMAOBKDM1A
SCHEMBL3468969 1.00 OPRM1 (0.42) OPRM1OPRL1MAOAMAOBKDM1A
SCHEMBL13823155 0.78 PGR (0.32)
SCHEMBL10235158 0.77 TAAR1 (0.34)
SCHEMBL13864262 0.76 HTR2A (0.35) SLC6A3SLC6A4SLC6A2HTR2CCHRNB2
SCHEMBL11479521 0.76 HTR2A (0.39) OPRM1OPRL1MAOAKDM1ASLC6A3
SCHEMBL17729483 0.72 MAOA (0.50) OPRM1OPRL1MAOAMAOBKDM1A
SCHEMBL31312513 0.71 OPRL1 (0.44) OPRM1OPRL1MAOAMAOBKDM1A
SCHEMBL19387668 0.69 SLC6A2 (0.51) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL27100094 0.68 OPRM1 (0.45) OPRM1OPRL1MAOAMAOBKDM1A

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-8217168-B2 Azabicyclo [3. 1. 0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217168-B2 Azabicyclo [3. 1. 0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217168-B2 Azabicyclo [3. 1. 0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
EP-2205560-B1 AZABICYCLO [3. 1. 0]HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-12-28 EP disclosed
EP-2205560-B1 AZABICYCLO [3. 1. 0]HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-12-28 EP disclosed
US-7863299-B2 Triazolyl derivatives of azabicyclo [3.1.0] hexane as dopamine D3 receptor modulators GLAXO GROUP LIMITED (GB) 2011-01-04 US disclosed
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-09-23 US disclosed
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-09-23 US disclosed
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-09-23 US disclosed
WO-2009043884-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 WO disclosed
US-20080242715-A1 Triazolyl Derivatives of Azabicyclo [3.1.0] Hexane as Dopamine D3 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-02 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-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, CHRNA5, NR3C2 OPRM1 113/4885OPRL1 40/4885MAOA 1469/4885
US-20080242715-A1 Triazolyl Derivatives of Azabicyclo [3.1.0] Hexane as Dopamine D3 Receptor Modulators CHRM1, CHRM5, CHRM2 OPRM1 38/4885OPRL1 56/4885MAOA 2284/4885

“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.