SCHEMBL977902

SCHEMBL977902

CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(N)=O)CC3)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.56
DRD3 P35462 6/20 0.56
ABCB11 O95342 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL977903 1.00 DRD2 (0.56) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL978461 0.91 DRD2 (0.55) DRD2DRD3HTR1AHTR2A
SCHEMBL978459 0.91 DRD2 (0.55) DRD2DRD3HTR1AHTR2A
SCHEMBL981159 0.90 DRD2 (0.55) DRD2DRD3HTR1AHTR2A
SCHEMBL981157 0.90 DRD2 (0.55) DRD2DRD3HTR1AHTR2A
SCHEMBL977901 0.90 DRD2 (0.60) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL977900 0.90 DRD2 (0.60) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL15747671 0.89 DRD2 (0.55) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL2304584 0.89 DRD2 (0.55) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL2304589 0.89 DRD2 (0.55) DRD2DRD3HTR1ADRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802672-B2 Pyrimidinyl-piperazines useful as D3/D2 receptor ligands RICHTER GEDEON NYRT. (HU) 2014-08-12 US claimed
EP-2132185-B1 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2011-08-03 EP claimed
US-7875610-B2 trans-N-(4-{2-[4-(5,6-dichloro-2-methylamino-pyrimidin-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamide; for treating Parkinson's disease; reacting trans-(4-{4-[2-(4-amino-cyclohexyl)-ethyl]-piperazin-1-yl}-5,6-dichloro-pyrimidin-2-yl)-methyl-amine trihydrochloride with acetyl chloride RICHTER GEDEON NYRT. (HU) 2011-01-25 US claimed
EP-2132185-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS Richter Gedeon NYRT (HU) 2009-12-16 EP claimed
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. (HU) 2009-06-04 US claimed
WO-2008125891-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3 /D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2008-10-23 WO claimed
US-8802672-B2 Pyrimidinyl-piperazines useful as D3/D2 receptor ligands RICHTER GEDEON NYRT. (HU) 2014-08-12 US disclosed
EP-2132185-B1 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2011-08-03 EP disclosed
US-20110112093-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. 2011-05-12 US disclosed
US-7875610-B2 trans-N-(4-{2-[4-(5,6-dichloro-2-methylamino-pyrimidin-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamide; for treating Parkinson's disease; reacting trans-(4-{4-[2-(4-amino-cyclohexyl)-ethyl]-piperazin-1-yl}-5,6-dichloro-pyrimidin-2-yl)-methyl-amine trihydrochloride with acetyl chloride RICHTER GEDEON NYRT. (HU) 2011-01-25 US disclosed
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. (HU) 2009-06-04 US 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-20110112093-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 DRD2 1/4885DRD3 2/4885ABCB11 1852/4885
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 DRD2 1/4885DRD3 2/4885ABCB11 1852/4885

“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.