SCHEMBL4396525

SCHEMBL4396525

Cn1c(SCCCN2C[C@@H]3CC3(c3ccc(Br)cc3)C2)nnc1-c1ccc(F)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 20/20 0.68
DRD3 P35462 19/20 0.68
DRD2 P14416 16/20 0.68
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL378290 1.00 KCNH2 (0.68) KCNH2DRD3DRD2CYP1A2CYP2D6
SCHEMBL4396531 1.00 KCNH2 (0.68) KCNH2DRD3DRD2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL378977 0.99 KCNH2 (0.67) KCNH2DRD3DRD2CYP1A2CYP2D6
SCHEMBL378314 0.87 KCNH2 (0.84) KCNH2DRD3DRD2CYP1A2
SCHEMBL11915309 0.87 KCNH2 (0.80) KCNH2DRD3DRD2CYP1A2CYP2D6
SCHEMBL378602 0.87 KCNH2 (0.80) KCNH2DRD3DRD2CYP1A2CYP2D6
SCHEMBL11911823 0.87 KCNH2 (0.80) KCNH2DRD3DRD2CYP1A2CYP2D6
SCHEMBL11911820 0.87 KCNH2 (0.79) KCNH2DRD3DRD2CYP1A2CYP2D6
SCHEMBL11914545 0.87 KCNH2 (0.79) KCNH2DRD3DRD2CYP1A2CYP2D6
SCHEMBL378375 0.87 KCNH2 (0.79) KCNH2DRD3DRD2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745040-A1 AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-01-24 EP claimed
WO-2005080382-A1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2005-09-01 WO claimed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 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 (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-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT KCNH2 3743/4885DRD3 152/4885DRD2 279/4885

“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.