SCHEMBL1880280

SCHEMBL1880280

C=CCCCc1nnc(-c2cccnc2C)n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.34
DRD2 P14416 3/20 0.34
PDE10A Q9Y233 5/20 0.34
PDE2A O00408 5/20 0.34
KCNH2 Q12809 3/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD11B1 P28845 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4D Q08499 2/20 0.31
LMNA P02545 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE3A Q14432 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
SCHEMBL1879436 0.87 DRD3 (0.36) DRD3DRD2PDE10APDE2AKCNH2
SCHEMBL1875847 0.83 HSD11B1 (0.44) PDE10APDE2AHSD11B1SMN1; SMN2
SCHEMBL1871705 0.81 HSD11B1 (0.56) HSD11B1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1881362 0.80 KMT2A (0.51) DRD3DRD2PDE10APDE2AHSD11B1
SCHEMBL12634416 0.77 TSHR (0.42) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL1877575 0.77 HSD11B1 (0.49) DRD3DRD2HSD11B1KDM4EALDH1A1
SCHEMBL1883874 0.76 HSD11B1 (0.39) PDE10AHSD11B1
SCHEMBL1880268 0.76 KDM4E (0.39) DRD3DRD2KCNH2HSD11B1KDM4E
SCHEMBL1878407 0.75 HSD11B1 (0.33) DRD3DRD2PDE10AKCNH2HSD11B1
SCHEMBL1883008 0.75 DRD3 (0.41) DRD3DRD2KCNH2LMNA

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
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
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

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 DRD3 1/4885DRD2 11/4885PDE10A 1290/4885

“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.