SCHEMBL4876481

SCHEMBL4876481

CCc1nc2ccc3c(c2s1)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
DRD3 P35462 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH1 P35367 1/20 0.40
ADORA1 P30542 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAP4K4 O95819 1/20 0.37
PIK3CA P42336 1/20 0.37
GRM5 P41594 1/20 0.37
GBA1 P04062 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
POLB P06746 1/20 0.36
CKS1B P61024 1/20 0.36

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
SCHEMBL2307280 0.86 ESR2 (0.46) ESR2NR1H2KCNH2ADORA1KDM4E
SCHEMBL2314646 0.79 ESR2 (0.46) ESR2NR1H2DRD3KCNH2ADORA1
SCHEMBL15503183 0.75 ESR2 (0.50) ESR2NR1H2ADORA1GRM5GPR119
SCHEMBL15502944 0.70 ESR2 (0.53) ESR2NR1H2ADORA1MAPTGRM5
SCHEMBL2131466 0.69 ESR2 (0.55) ESR2NR1H2ADORA1KDM4EMAPT
SCHEMBL20573212 0.69 ESR2 (0.55) ESR2NR1H2ADORA1MAPTGRM5
SCHEMBL16286088 0.69 GRAMD1A (0.51) ESR2ADORA1KDM4EMAPTGRM5
SCHEMBL15503181 0.69 ESR2 (0.49) ESR2NR1H2ADORA1GRM5GPR119
SCHEMBL15506514 0.69 ADORA1 (0.49) ESR2NR1H2ADORA1KDM4EPOLB
SCHEMBL6098270 0.69 ESR2 (0.44) ESR2NR1H2ADORA1KDM4EMAPT

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 ESR2 1839/4885NR1H2 501/4885DRD3 1/4885

“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.