SCHEMBL2350823

SCHEMBL2350823

COc1ccccc1N1CCN(CCCCn2cc(C)c(=O)[nH]c2=O)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.72
ADRA1A P35348 2/20 0.72
ADRA1B P35368 2/20 0.72
HTR7 P34969 8/20 0.62
HTR1A P08908 7/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALOX12 P18054 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KDM4E B2RXH2 1/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
DRD2 P14416 5/20 0.59

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
SCHEMBL7833683 0.98 ADRA1D (0.75) ADRA1DADRA1AADRA1BHTR7HTR1A
Hydrochloric Acid SCHEMBL7834507 0.97 ADRA1D (0.74) ADRA1DADRA1AADRA1BHTR7HTR1A
SCHEMBL2351486 0.89 ADRA1B (0.75) ADRA1DADRA1AADRA1BHTR7HTR1A
SCHEMBL2353857 0.89 ADRA1B (0.68) ADRA1DADRA1AADRA1BHTR7HTR1A
SCHEMBL2354965 0.87 ADRA1A (0.66) ADRA1DADRA1AADRA1BHTR7KDM4E
SCHEMBL2349477 0.86 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR7HTR1A
SCHEMBL2356051 0.86 HTR1A (0.56) ADRA1DADRA1AADRA1BHTR7HTR1A
SCHEMBL2351537 0.86 ADRA1B (0.55) ADRA1DADRA1AADRA1BHTR7HTR1A
SCHEMBL2346272 0.86 ADRA1D (0.67) ADRA1DADRA1AADRA1BHTR7HTR1A
SCHEMBL591966 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BMEN1KMT2A

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-8008488-B2 Pyrimidin-2-one compounds and their use as dopamine D3 receptor ligands ABBOTT GMBH & CO. KG (DE) 2011-08-30 US disclosed
EP-1601659-B1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2008-01-16 EP disclosed
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ABBOT GMBH & CO. KG (DE) 2006-10-19 US disclosed
EP-1601659-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2005-12-07 EP disclosed
WO-2004080981-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2004-09-23 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-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ADRB3, DRD3, OPRL1 ADRA1D 55/4885ADRA1A 101/4885ADRA1B 78/4885

“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.