SCHEMBL4868205

SCHEMBL4868205

Cc1nc2c3c(ccc2o1)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
GRM5 P41594 1/20 0.41
GPR119 Q8TDV5 6/20 0.40
DRD3 P35462 1/20 0.39
KCNH2 Q12809 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
HDAC4 P56524 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL2312041 0.78 ESR2 (0.48) ESR2NR1H2GRM5GPR119USP2
SCHEMBL15502944 0.75 ESR2 (0.53) ESR2NR1H2GRM5GPR119USP2
SCHEMBL2131466 0.74 ESR2 (0.55) ESR2NR1H2GRM5GPR119USP2
SCHEMBL20573212 0.74 ESR2 (0.55) ESR2NR1H2GRM5GPR119USP2
SCHEMBL2308189 0.74 ESR2 (0.42) ESR2NR1H2GRM5GPR119DRD3
SCHEMBL17462500 0.73 ESR2 (0.51) ESR2NR1H2GRM5GPR119USP2
SCHEMBL2307280 0.73 ESR2 (0.46) ESR2NR1H2GRM5GPR119KCNH2
SCHEMBL2312431 0.73 ESR2 (0.41) ESR2NR1H2GRM5GPR119DRD3
SCHEMBL15503183 0.72 ESR2 (0.50) ESR2NR1H2GRM5GPR119USP2
SCHEMBL4207648 0.72 ESR2 (0.52) ESR2NR1H2GRM5GPR119USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine DRD3, SLC6A3, DRD2 ESR2 1839/4885NR1H2 501/4885GRM5 86/4885

“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.