SCHEMBL2307280

SCHEMBL2307280

Cc1nc2ccc3c(c2s1)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
ADORA1 P30542 2/20 0.42
GRM5 P41594 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAP4K4 O95819 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.38
GRM1 Q13255 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4876481 0.86 ESR2 (0.43) ESR2NR1H2ADORA1GRM5KDM4E
SCHEMBL2313024 0.78 ESR2 (0.48) ESR2NR1H2ADORA1GRM5KDM4E
SCHEMBL15502944 0.75 ESR2 (0.53) ESR2NR1H2ADORA1GRM5MAPT
SCHEMBL20573212 0.74 ESR2 (0.55) ESR2NR1H2ADORA1GRM5MAPT
SCHEMBL2131466 0.74 ESR2 (0.55) ESR2NR1H2ADORA1GRM5KDM4E
SCHEMBL17462500 0.73 ESR2 (0.51) ESR2NR1H2ADORA1GRM5MAPT
SCHEMBL4868205 0.73 ESR2 (0.46) ESR2NR1H2GRM5PARP1TNKS2
SCHEMBL15503183 0.72 ESR2 (0.50) ESR2NR1H2ADORA1GRM5GPR119
SCHEMBL4207648 0.72 ESR2 (0.52) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL15503181 0.71 ESR2 (0.49) ESR2NR1H2ADORA1GRM5GPR119

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 8 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-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 ESR2 775/4885NR1H2 451/4885ADORA1 334/4885
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine DRD3, SLC6A3, DRD2 ESR2 1839/4885NR1H2 501/4885ADORA1 77/4885

“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.