SCHEMBL1883375

SCHEMBL1883375

Cc1nc(C)c(-c2nnc(CCCC=O)n2C)s1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
DRD3 P35462 6/20 0.32
KCNH2 Q12809 5/20 0.32
DRD2 P14416 4/20 0.32
COMT P21964 2/20 0.32
HRH1 P35367 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1879996 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL1883280 0.78 DRD2 (0.33) DRD3KCNH2DRD2
SCHEMBL1876647 0.76 GRIN1 (0.31)
SCHEMBL1874141 0.74
SCHEMBL1877654 0.72 HTR1A (0.30)
SCHEMBL1873601 0.71 HSD11B1 (0.49) DRD3DRD2
SCHEMBL1874039 0.70 NR1I2 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2DRD3
SCHEMBL17713118 0.70 DRD3 (0.47) DRD3KCNH2DRD2HRH1
SCHEMBL1881595 0.69 HSD11B1 (0.43) ALDH1A1MAPT
SCHEMBL1887403 0.69 KCNH2 (0.33) DRD3KCNH2DRD2

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 7 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
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 KDM4E 3100/4885ALDH1A1 2591/4885HPGD 2051/4885

“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.