SCHEMBL4876652

SCHEMBL4876652

CC(C)(C)OC(=O)N1CCc2ccc(N)c(O)c2CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
ESR2 Q92731 1/20 0.54
ADORA1 P30542 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL5778867 0.88 NR1H2 (0.55) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL20573212 0.85 ESR2 (0.55) NR1H2ESR2ADORA1MAPTALDH1A1
SCHEMBL506203 0.84 ESR2 (0.57) NR1H2ESR2ADORA1MAPTALDH1A1
SCHEMBL4871982 0.84 NR1H2 (0.56) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL25604351 0.83 ESR2 (0.53) NR1H2ESR2ADORA1MAPTALDH1A1
SCHEMBL20286648 0.83 NR1H2 (0.54) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL10228372 0.81 NR1H2 (0.55) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL14045266 0.81 NR1H2 (0.38) NR1H2ESR2KDM4EGPR119
SCHEMBL4882405 0.80 ESR2 (0.53) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL2131466 0.80 ESR2 (0.55) NR1H2ESR2ADORA1MAPTKDM4E

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 4 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
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 NR1H2 501/4885ESR2 1839/4885ADORA1 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.