SCHEMBL1129736

SCHEMBL1129736

O=c1c(Br)cccn1CCCCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.40
HDAC4 P56524 7/20 0.40
HDAC1 Q13547 7/20 0.40
HDAC7 Q8WUI4 7/20 0.40
HDAC2 Q92769 7/20 0.40
HDAC10 Q969S8 7/20 0.40
HDAC11 Q96DB2 7/20 0.40
HDAC8 Q9BY41 7/20 0.40
HDAC6 Q9UBN7 7/20 0.40
HDAC9 Q9UKV0 7/20 0.40
HDAC5 Q9UQL6 7/20 0.40
ADORA2B P29275 2/20 0.38
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL21130547 0.95 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23863507 0.82 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1130229 0.79 PKM (0.46) ADORA2BMAPTVEGFAEGLN1CNR1
SCHEMBL12859678 0.79 PARP1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21595152 0.77 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL608253 0.77 CNR2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1129274 0.76 ADORA2B (0.35) HDAC1HDAC6ADORA2BMAPTMEN1
SCHEMBL1129892 0.76 DRD2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1997416 0.76 MAPT (0.50) ADORA2BMAPTMEN1HTTKMT2A
SCHEMBL23531483 0.76 KDM4E (0.38) ADORA2BMAPK1MEN1KMT2ASMN1; SMN2

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-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
US-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
US-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
EP-2010518-B1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-02-16 EP disclosed
EP-2010518-B1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-02-16 EP disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
EP-2010518-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007113258-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113258-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, DRD1 HDAC3 254/4885HDAC4 1317/4885HDAC1 405/4885

“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.