SCHEMBL2899212

SCHEMBL2899212

O=C(c1ccccc1)n1c(=O)cn[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.45
P2RX4 Q99571 1/20 0.44
IDO1 P14902 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS1 P23219 1/20 0.39
SRC P12931 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14491 0.74 TYMP (0.49) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL3015728 0.72 TYMP (0.54) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL2892389 0.71 TYMP (0.43) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL2897883 0.71 TYMP (0.50) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL2899113 0.70 PDE3B (0.44) TYMPP2RX4MEN1KMT2ASMN1; SMN2
SCHEMBL11792243 0.69 P2RX4 (0.59) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL31621004 0.69 TYMP (0.60) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL28381737 0.65 P2RX4 (0.53) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL872109 0.65 P2RX4 (0.81) P2RX4IDO1MEN1KMT2ASMN1; SMN2
SCHEMBL9778105 0.64 TYMP (0.54) TYMPP2RX4IDO1MEN1KMT2A

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 642/4885IDO1 2467/4885

“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.