SCHEMBL1877975

SCHEMBL1877975

Cc1nc(C)c(C(=O)NN)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
HSD17B10 Q99714 8/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 3/20 0.50
POLB P06746 5/20 0.49
MAPT P10636 5/20 0.49
USP2 O75604 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL19770790 0.82 GAA (0.56) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL18574305 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL114334 0.77 MAPT (0.44) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL27432878 0.76 HSD17B10 (0.47) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL286999 0.76 HSD17B10 (0.47) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL210291 0.74 HSD17B10 (0.50) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Hydrochloric Acid SCHEMBL10496189 0.74 HSD17B10 (0.46) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL408193 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL8613502 0.73 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL11624706 0.73 GAA (0.76) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10

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 8 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

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 ALDH1A1 2591/4885SMN1; SMN2 4173/4885LMNA 4772/4885

“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.