SCHEMBL3568757

SCHEMBL3568757

Cc1nc(C)c(-c2ccn(CCCCCl)c(=O)n2)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.41
CDK4 P11802 8/20 0.41
CCNE1 P24864 3/20 0.41
AURKA O14965 3/20 0.35
CDK1 P06493 3/20 0.35
CDK7 P50613 3/20 0.35
CDK9 P50750 3/20 0.35
AURKB Q96GD4 2/20 0.35
COMT P21964 4/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PLK1 P53350 1/20 0.34
IDH1 O75874 1/20 0.34
OPRM1 P35372 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
SCHEMBL14403274 0.82 CDK2 (0.34) CDK2CDK4CCNE1AURKACDK9
SCHEMBL2347681 0.76 TLR8 (0.43) PLK1
SCHEMBL3574498 0.75 CCR1 (0.43) LMNA
SCHEMBL591865 0.75 DRD2 (0.44) CDK4LMNAHTT
SCHEMBL3572766 0.75 TGFBR1 (0.37) IDH1
SCHEMBL2351423 0.74 TLR8 (0.44) CDK4LMNAHTT
SCHEMBL3571130 0.74 TLR8 (0.46) LMNAIDH1
SCHEMBL591990 0.73 DRD2 (0.47) CDK4
SCHEMBL2745920 0.72 CYP2C9 (0.40) COMT
SCHEMBL2347045 0.72 TLR8 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007751-B1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
EP-2007751-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
WO-2007113260-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, HTR3A CDK2 647/4885CDK4 825/4885CCNE1 1804/4885

“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.