SCHEMBL4396542

SCHEMBL4396542

CC(C)(C)c1nc(O)cc(C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.36
ADORA1 P30542 1/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
POLB P06746 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL392696 0.93 HRH4 (0.33) TMIGD3ADORA1DRD2DRD3CNR2
SCHEMBL31543350 0.86 TMIGD3 (0.35) TMIGD3ADORA1POLB
SCHEMBL26686129 0.86 TMIGD3 (0.35) TMIGD3ADORA1POLB
SCHEMBL20932938 0.79 DRD2 (0.32) TMIGD3ADORA1DRD2DRD3CNR2
SCHEMBL4390539 0.78 DRD2 (0.34) TMIGD3ADORA1DRD2DRD3CNR2
SCHEMBL1221655 0.77 ALDH1A1 (0.38) POLB
SCHEMBL10896284 0.75 POLB (0.34) TMIGD3ADORA1POLB
SCHEMBL390697 0.71 HRH4 (0.33) DRD2DRD3CNR2
SCHEMBL10899837 0.71 POLB (0.34) TMIGD3ADORA1POLB
SCHEMBL5750966 0.71 HRH4 (0.50)

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-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
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 TMIGD3 2338/4885ADORA1 9/4885DRD2 6/4885

“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.