SCHEMBL2310073

SCHEMBL2310073

CC(=O)Nc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
ESR2 Q92731 1/20 0.56
NR1H2 P55055 1/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
JAK2 O60674 4/20 0.47
JAK3 P52333 4/20 0.47
PTK2 Q05397 4/20 0.47
GPR119 Q8TDV5 1/20 0.46
NAMPT P43490 3/20 0.46
MAPT P10636 2/20 0.46
KCNA1 Q09470 1/20 0.45
KCNAB1 Q14722 1/20 0.45

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
SCHEMBL31174273 0.93 NR1H2 (0.66) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL31174286 0.93 ESR2 (0.67) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL31174284 0.93 ESR2 (0.67) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL2310007 0.90 NPC1 (0.64) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL2308379 0.86 RAB9A (0.62) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL2310192 0.84 NPC1 (0.60) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL3077077 0.84 NPC1 (0.50) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL23253873 0.84 HDAC1 (0.55) NPC1RAB9AESR2NR1H2MEN1
SCHEMBL7017461 0.84 NPC1 (0.58) NPC1RAB9AESR2NR1H2PTPN2
SCHEMBL4764988 0.83 NPC1 (0.59) NPC1RAB9AESR2NR1H2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
EP-1773844-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006002928-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-01-12 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-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 NPC1 2235/4885RAB9A 542/4885ESR2 775/4885
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine DRD3, SLC6A3, DRD2 NPC1 1833/4885RAB9A 655/4885ESR2 1839/4885

“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.