SCHEMBL4392669

SCHEMBL4392669

CC(COc1nccc(OCc2ccccc2)n1)CN1CCN(c2cc(C3CCC3)nc(C(C)(C)C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.40
DRD3 P35462 14/20 0.40
HRH4 Q9H3N8 1/20 0.36
DRD4 P21917 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4392664 1.00 DRD2 (0.40) DRD2DRD3HRH4DRD4MEN1
SCHEMBL4394940 0.88 DRD2 (0.49) DRD2DRD3HRH4
SCHEMBL4389033 0.86 DRD2 (0.41) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL4392609 0.86 DRD2 (0.41) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL4389038 0.86 DRD2 (0.41) DRD2DRD3HRH4MEN1KMT2A
Hydrochloric Acid SCHEMBL4400456 0.85 DRD2 (0.41) DRD2DRD3HRH4MEN1KMT2A
Hydrochloric Acid SCHEMBL4398597 0.85 DRD2 (0.41) DRD2DRD3HRH4MEN1KMT2A
Hydrochloric Acid SCHEMBL4398593 0.85 DRD2 (0.41) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL4551142 0.85 DRD2 (0.40) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL4393692 0.84 DRD2 (0.52) DRD2DRD3HRH4

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 DRD2 6/4885DRD3 4/4885HRH4 87/4885

“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.