SCHEMBL2745402

SCHEMBL2745402

Cc1csc(-c2c[nH]c(=O)n(C(=O)c3ccccc3)c2=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TYMP P19971 1/20 0.41
TACR3 P29371 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 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
SCHEMBL2745527 0.82 NPC1 (0.40) RAB9ANPC1TYMPTACR3SMN1; SMN2
SCHEMBL2189433 0.74 TYMP (0.53) TSHRRAB9ANPC1TYMPSMN1; SMN2
SCHEMBL2745392 0.68 TYMP (0.45) RAB9ANPC1TYMPSMN1; SMN2HPGD
SCHEMBL27243901 0.68 TYMP (0.45) RAB9ANPC1TYMPSMN1; SMN2HPGD
SCHEMBL599845 0.68 TYMP (0.45) RAB9ANPC1TYMPSMN1; SMN2HPGD
SCHEMBL3741835 0.68 KDM4E (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL28562422 0.68 TYMP (0.46) RAB9ANPC1TYMPPOLBMAPT
SCHEMBL2897883 0.66 TYMP (0.50) RAB9ANPC1TYMPSMN1; SMN2MAPT
SCHEMBL16632478 0.66 TYMP (0.43) RAB9ANPC1TYMPSMN1; SMN2POLB
SCHEMBL19893976 0.66 NPC1 (0.59) TSHRRAB9ANPC1SMN1; SMN2GLA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203445-B1 AZABICYCLO Ý3. 1. O¨HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-11-27 EP disclosed
US-8178549-B2 Azabicyclo [3. 1. O] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-8178549-B2 Azabicyclo [3. 1. O] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-8178549-B2 Azabicyclo [3. 1. O] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2010-08-19 US disclosed
US-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2010-08-19 US disclosed
US-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2010-08-19 US disclosed
EP-2203445-A1 AZABICYCLO Ý3. 1. O¨HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS Glaxo Group Limited (GB) 2010-07-07 EP disclosed
WO-2009043883-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 WO disclosed
WO-2009043883-A1 AZABICYCLO [3. 1. O] 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-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, DRD5 TSHR 488/4885RAB9A 1258/4885NPC1 2496/4885

“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.