SCHEMBL4395546

SCHEMBL4395546

Cn1c(OCCCN2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)nnc1-c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.44
HTR1A P08908 5/20 0.40
HTR2A P28223 4/20 0.40
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
KCNH2 Q12809 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
SCHEMBL4400282 0.86 DRD2 (0.45) HRH3HTR1AHTR2ADRD2DRD3
SCHEMBL4395472 0.85 DRD2 (0.53) DRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL4390952 0.84 DRD2 (0.52) DRD2DRD3KCNH2
SCHEMBL4400580 0.83 DRD2 (0.42) DRD2DRD3
SCHEMBL4391003 0.75 HRH4 (0.47) DRD2DRD3
SCHEMBL4401383 0.73 HRH4 (0.45) DRD2DRD3
SCHEMBL4393677 0.72 DRD2 (0.51) DRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL4398546 0.72 DRD2 (0.51) DRD2DRD3KCNH2
SCHEMBL4390935 0.71 DRD2 (0.46) DRD2DRD3
SCHEMBL4396119 0.71 DRD3 (0.53) DRD2DRD3KCNH2

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 9 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 claimed
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 claimed
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 claimed
EP-1778684-A1 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) 2007-05-02 EP claimed
WO-2006015842-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-02-16 WO claimed
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
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
EP-1778684-A1 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) 2007-05-02 EP disclosed
WO-2006015842-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-02-16 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-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRA1D, ADRA1A, ADRA2A HRH3 137/4885HTR1A 8/4885HTR2A 21/4885

“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.