SCHEMBL3545689

SCHEMBL3545689

C=CCCCc1nccc(O)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
ALDH1A1 P00352 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC4 P56524 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 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
SCHEMBL3547786 0.83 HIF1A (0.34)
SCHEMBL532603 0.78 XDH (0.34) ALDH1A1HPGDL3MBTL1ESR1
SCHEMBL5718647 0.77 TLR8 (0.37) TLR8ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL3543485 0.76 MBOAT4 (0.36) TLR8ALDH1A1HDAC1HDAC4USP2
SCHEMBL83673 0.75 PTGS2 (0.40) ALDH1A1TDP1L3MBTL1LMNAESR1
SCHEMBL3554323 0.74 AURKA (0.44) TLR8ALDH1A1HDAC1HDAC4L3MBTL1
SCHEMBL4273111 0.74 SORD (0.42) ALDH1A1TDP1
SCHEMBL8176767 0.72 KDM4E (0.37) TLR8ALDH1A1USP2HPGDTDP1
SCHEMBL10892732 0.71 ALOX5 (0.32)
SCHEMBL11200795 0.69 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNA

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 11 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-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-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
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
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-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
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 TLR8 4619/4885ALDH1A1 1676/4885HDAC1 1168/4885

“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.