SCHEMBL2899113

SCHEMBL2899113

O=C(c1ccccc1)n1c(=O)[nH]nc(-c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.44
PDE3A Q14432 5/20 0.44
MAP2K4 P45985 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE1A P54750 4/20 0.43
PDE1B Q01064 4/20 0.43
PDE1C Q14123 4/20 0.43
PDE5A O76074 4/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TYMP P19971 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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 0.80 TYMP (0.43) PDE3BPDE3AMAP2K4MAPK1MAPKAPK3
SCHEMBL2897883 0.80 TYMP (0.50) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL2899212 0.70 TYMP (0.45) PTGS1NPSR1TYMPALDH1A1P2RX4
SCHEMBL31621004 0.70 TYMP (0.60) TYMPALDH1A1P2RX4RAB9ANPC1
SCHEMBL3015728 0.69 TYMP (0.54) TYMPALDH1A1P2RX4RAB9ANPC1
SCHEMBL3695457 0.67 LMNA (0.46) PDE3BPDE3AMAPK1PTGS1PDE1A
SCHEMBL2745392 0.67 TYMP (0.45) TYMPCYP2C19ALDH1A1P2RX4RAB9A
SCHEMBL599845 0.67 TYMP (0.45) TYMPP2RX4RAB9ANPC1MEN1
SCHEMBL2189433 0.67 TYMP (0.53) MAPK1NPSR1TYMPCYP2C9CYP2C19
SCHEMBL11792243 0.66 P2RX4 (0.59) TYMPCYP2C19ALDH1A1P2RX4RAB9A

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 PDE3B 1442/4885PDE3A 949/4885MAP2K4 2328/4885

“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.