SCHEMBL392696

SCHEMBL392696

CC(C)(C)c1nc(O)cc(C2CCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.33
TLR8 Q9NR97 1/20 0.33
HMGCR P04035 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
ADORA1 P30542 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
CTSK P43235 3/20 0.31
CTSS P25774 2/20 0.31
ATAD2 Q6PL18 1/20 0.31
CNR2 P34972 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL4396542 0.93 TMIGD3 (0.36) TMIGD3ADORA1DRD2DRD3CNR2
SCHEMBL31543350 0.79 TMIGD3 (0.35) TLR8TMIGD3ADORA1
SCHEMBL390697 0.79 HRH4 (0.33) HRH4TLR8HMGCRDRD2DRD3
SCHEMBL26686129 0.79 TMIGD3 (0.35) TLR8TMIGD3ADORA1
SCHEMBL1221655 0.74 ALDH1A1 (0.38)
SCHEMBL20932938 0.73 DRD2 (0.32) TMIGD3ADORA1DRD2DRD3CNR2
SCHEMBL3719255 0.73 HRH4 (0.56) HRH4
SCHEMBL3290934 0.72
SCHEMBL3228902 0.72 HRH4 (0.42) HRH4TLR8CTSKCTSS
SCHEMBL4390539 0.71 DRD2 (0.34) TMIGD3ADORA1DRD2DRD3CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970146-B1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2017-11-01 EP disclosed
US-9388141-B2 Acylaminocycloalkyl compounds suitable for treating disorders that respond to modulation of dopamine D3 receptor ABBVIE INC. (US) 2016-07-12 US disclosed
US-9388148-B2 Acylaminocycloalkyl compounds suitable for treating disorders that respond to modulation of dopamine D3 receptor ABBVIE INC. (US) 2016-07-12 US disclosed
EP-2970146-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
US-20140303176-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-09 US disclosed
WO-2014140246-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275104-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
EP-1817037-B1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
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-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-04-19 US disclosed
US-8101754-B2 e.g., 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-(1-methylcyclopropyl)-pyrimidine hydrochloride; central nervous system disorders; schizophrenia; antidepressant, anxiolytic agent, cognition activator; Parkinson's and Alzheimer's diseases ABBOTT GMBH & CO. KG (DE) 2012-01-24 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
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-17 US disclosed
EP-1817037-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-15 EP 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-2006058753-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-06-08 WO 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 (5 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 HRH4 87/4885TLR8 1405/4885HMGCR 4263/4885
US-20140275104-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR DRD3, DRD2, ADCY3 HRH4 33/4885TLR8 2268/4885HMGCR 2485/4885
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ADRB3, DRD3, ADORA3 HRH4 74/4885TLR8 1408/4885HMGCR 2961/4885
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRB3, DRD3, ADORA3 HRH4 65/4885TLR8 1336/4885HMGCR 3041/4885
US-20140303176-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR DRD3, DRD2, ADCY3 HRH4 33/4885TLR8 2268/4885HMGCR 2485/4885

“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.