SCHEMBL1876295

SCHEMBL1876295

Cc1ccc(-c2nnc(CCCC=O)n2C)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
HSD11B1 P28845 2/20 0.33
HPGDS O60760 1/20 0.33
DRD3 P35462 2/20 0.32
KCNH2 Q12809 2/20 0.32
DRD2 P14416 1/20 0.32
HRH1 P35367 1/20 0.32
PTGS2 P35354 4/20 0.32
DGAT1 O75907 1/20 0.31
PIK3CD O00329 1/20 0.31
PTGS1 P23219 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1878407 0.87 HSD11B1 (0.33) PDE10AHSD11B1HPGDSDRD3KCNH2
SCHEMBL1871475 0.85 OXTR (0.39) DRD3KCNH2DRD2PTGS2PIK3CD
SCHEMBL1874444 0.82 DRD2 (0.33) PDE10AHSD11B1DRD3KCNH2DRD2
SCHEMBL1873261 0.81 ALDH1A1 (0.41) HSD11B1DRD3DRD2DGAT1HDAC6
SCHEMBL1881595 0.81 HSD11B1 (0.43) HSD11B1
SCHEMBL1873601 0.81 HSD11B1 (0.49) HSD11B1DRD3DRD2DGAT1HDAC6
SCHEMBL1883386 0.80 DRD3 (0.32) DRD3KCNH2DRD2HRH1
SCHEMBL5102344 0.79 DRD2 (0.38) HSD11B1DRD3KCNH2DRD2DGAT1
SCHEMBL1875222 0.79 RAB9A (0.47)
SCHEMBL1874918 0.78 TP53 (0.35) HSD11B1DRD3KCNH2PTGS2DGAT1

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
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 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-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR3C, TACR2 PDE10A 1290/4885HSD11B1 423/4885HPGDS 1805/4885

“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.