SCHEMBL3975941

SCHEMBL3975941

FC(F)(F)c1ccc([C@]23C[C@H]2CN(CCCCc2nccc(C(F)(F)F)n2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.49
KCNH2 Q12809 18/20 0.49
DRD2 P14416 14/20 0.49
CYP1A2 P05177 1/20 0.47

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
Hydrochloric Acid SCHEMBL3983711 0.99 DRD3 (0.49) DRD3KCNH2DRD2CYP1A2
SCHEMBL3554002 0.89 DRD3 (0.49) DRD3KCNH2DRD2CYP1A2
SCHEMBL3551411 0.86 DRD3 (0.55) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL3548561 0.85 DRD3 (0.54) DRD3KCNH2DRD2CYP1A2
SCHEMBL3979035 0.81 GAA (0.35) DRD3KCNH2DRD2CYP1A2
SCHEMBL378256 0.79 DRD3 (0.55) DRD3KCNH2DRD2CYP1A2
SCHEMBL13089084 0.79 DRD3 (0.55) DRD3KCNH2DRD2CYP1A2
SCHEMBL3979537 0.77 DRD3 (0.48) DRD3KCNH2DRD2CYP1A2
SCHEMBL14606013 0.76 DRD3 (0.55) DRD3KCNH2DRD2CYP1A2
SCHEMBL10107827 0.76 DRD3 (0.57) DRD3KCNH2DRD2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP claimed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP 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-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HTR5A, CHRNA5, DRD3 DRD3 3/4885KCNH2 464/4885DRD2 11/4885

“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.