SCHEMBL4396315

SCHEMBL4396315

CC1(c2cc(N3CCN(CCCCl)CC3)nc(C3CCC3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
DRD2 P14416 4/20 0.35
DRD3 P35462 2/20 0.35
MAP3K12 Q12852 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
CXCR4 P61073 1/20 0.33
HTR1A P08908 2/20 0.32
DRD4 P21917 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR7 P34969 2/20 0.32
KHK P50053 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4396559 0.96 CHRM3 (0.40) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4390935 0.81 DRD2 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL390980 0.79 DRD2 (0.44) DRD2DRD3
SCHEMBL5170798 0.77 DRD2 (0.34) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4391003 0.76 HRH4 (0.47) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL387135 0.71 DRD2 (0.55) DRD2DRD3HRH4
SCHEMBL4398175 0.70 DRD2 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4390618 0.66 DRD2 (0.57) DRD2DRD3
SCHEMBL4397316 0.65 HRH4 (0.40) DRD2DRD3HRH4KDM4ELMNA
SCHEMBL4401383 0.65 HRH4 (0.45) CHRM3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202868-B2 4-piperazinyl-pyrimidine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-19 US disclosed
EP-1778684-B1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR ABBOTT GMBH & CO KG (DE) 2009-12-16 EP disclosed
US-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG (DE) 2009-10-22 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 (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-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRA1D, ADRA1A, ADRA2A CHRM3 190/4885PDE4A 63/4885PDE4B 143/4885

“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.