SCHEMBL2897883

SCHEMBL2897883

Cc1n[nH]c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.50
P2RX4 Q99571 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE5A O76074 2/20 0.40
ADORA1 P30542 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38
HTT P42858 2/20 0.37
SRC P12931 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2892389 0.81 TYMP (0.43) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL2899113 0.80 PDE3B (0.44) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL2189433 0.74 TYMP (0.53) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL2899212 0.71 TYMP (0.45) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL5800646 0.71 TYMP (0.56) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL31621004 0.71 TYMP (0.60) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL3015728 0.70 TYMP (0.54) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL20135932 0.70 P2RX4 (0.50) P2RX4KMT2AMEN1NPC1RAB9A
SCHEMBL2745527 0.68 NPC1 (0.40) TYMPP2RX4KMT2AMEN1NPC1
SCHEMBL14491 0.68 TYMP (0.49) TYMPP2RX4KMT2AMEN1NPC1

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-8217168-B2 Azabicyclo [3. 1. 0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217168-B2 Azabicyclo [3. 1. 0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217168-B2 Azabicyclo [3. 1. 0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
EP-2205560-B1 AZABICYCLO [3. 1. 0]HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-12-28 EP disclosed
EP-2205560-B1 AZABICYCLO [3. 1. 0]HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-12-28 EP disclosed
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-09-23 US disclosed
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-09-23 US disclosed
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-09-23 US disclosed
EP-2205560-A1 AZABICYCLO Ý3. 1. 0¨HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS Glaxo Group Limited (GB) 2010-07-14 EP disclosed
WO-2009043884-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 WO disclosed
WO-2009043884-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 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-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, CHRNA5, NR3C2 TYMP 4699/4885P2RX4 642/4885KMT2A 3625/4885

“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.