SCHEMBL2745475

SCHEMBL2745475

COC(CCn1cc(I)c(=O)n(C(=O)c2ccccc2)c1=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.34
P2RX4 Q99571 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2C19 P33261 1/20 0.32
TYMP P19971 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BRPF1 P55201 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IDO1 P14902 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL15196009 0.90 KMT2A (0.41) KMT2AP2RX4CYP1A2CYP2D6TSHR
SCHEMBL14396176 0.87 KMT2A (0.42) KMT2ARXFP1P2RX4CYP1A2CYP2D6
SCHEMBL2745513 0.78 KMT2A (0.42) KMT2AP2RX4CYP1A2CYP2D6TSHR
SCHEMBL3559036 0.78 KMT2A (0.42) KMT2AP2RX4CYP1A2CYP2D6TSHR
SCHEMBL3553791 0.77 KMT2A (0.41) KMT2AP2RX4CYP1A2CYP2D6TSHR
SCHEMBL2745373 0.77 KMT2A (0.39) KMT2ARXFP1NPC1RAB9A
SCHEMBL5798294 0.76 KMT2A (0.44) KMT2AP2RX4TP53CYP1A2CYP2D6
SCHEMBL13314150 0.71 DRD2 (0.36) KMT2ALMNA
SCHEMBL10107823 0.71 DRD2 (0.36) KMT2ALMNA
SCHEMBL14369799 0.70 TMEM97 (0.39) KMT2ATP53KDM4EMAPTHSD17B10

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 19 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
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 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
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US 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
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL 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 (2 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 KMT2A 3531/4885RXFP1 1445/4885P2RX4 1049/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 KMT2A 1692/4885RXFP1 4603/4885P2RX4 186/4885

“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.