SCHEMBL3555076

SCHEMBL3555076

CCOC(=CC(=O)O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.46
SOAT1 P35610 1/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TRPA1 O75762 1/20 0.36
GLO1 Q04760 1/20 0.35
CYP2D6 P10635 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR3 O14843 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL7124182 0.82 ALDH1A1 (0.44) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL7124183 0.82 ALDH1A1 (0.44) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL7124178 0.82 ALDH1A1 (0.44) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL136953 0.82 HCAR2 (0.43) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL10394838 0.82 HCAR2 (0.43) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL984688 0.82 SOAT1 (0.41) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL13296298 0.81 NPSR1 (0.56) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL19438257 0.81 NPSR1 (0.56) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL28989422 0.79 HCAR2 (0.41) HCAR2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL6439871 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1926723-A2 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LIMITED (GB) 2008-06-04 EP disclosed
WO-2007022934-A2 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 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-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HTR5A, CHRNA5, DRD3 HCAR2 382/4885SOAT1 3813/4885ALDH1A1 1676/4885

“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.