SCHEMBL392268

SCHEMBL392268

CC(C)(C)c1nc(N2CCN(CCCCl)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.66
DRD3 P35462 20/20 0.66

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
SCHEMBL6600239 0.95 DRD2 (0.66) DRD2DRD3
SCHEMBL2232549 0.95 DRD2 (0.67) DRD2DRD3
SCHEMBL392228 0.91 DRD2 (0.56) DRD2DRD3
SCHEMBL4767228 0.88 DRD2 (0.66) DRD2DRD3
SCHEMBL7450768 0.88 DRD2 (0.67) DRD2DRD3
SCHEMBL8205951 0.88 DRD2 (0.66) DRD2DRD3
SCHEMBL2347632 0.87 DRD2 (0.67) DRD2DRD3
Hydrochloric Acid SCHEMBL2347036 0.87 DRD2 (0.64) DRD2DRD3
SCHEMBL6179942 0.84 DRD2 (0.54) DRD2DRD3
SCHEMBL6601712 0.83 DRD2 (0.68) DRD2DRD3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751116-B1 Pyrimidine compounds and use thereof in the treatment of central nervous system disorders ABBOTT GMBH & CO KG (DE) 2013-07-31 EP 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-8268815-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2012-09-18 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-1003728-B1 2-(3-(4-(2-t-Butyl-6-trifluoromethylpyrimidin-4-yl)piperazin-1-yl)propylmercapto)pyrimidin-4-ol-fumarate ABBOTT GMBH & CO KG (DE) 2011-09-21 EP disclosed
EP-2361908-A1 Pyrimidine compounds useful for the treatment of CNS diseases Abbott GmbH & Co. KG (DE) 2011-08-31 EP disclosed
US-8008488-B2 Pyrimidin-2-one compounds and their use as dopamine D3 receptor ligands ABBOTT GMBH & CO. KG (DE) 2011-08-30 US disclosed
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2011-05-19 US disclosed
EP-2272833-A1 2-(3-(4-(2-t-Butyl-6-trifluoromethylpyridin-4-yl)piperazin-1-yl)propylmercapto)pyrimidin-4-ol-fumarate Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
EP-1484330-B1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2005-10-26 EP disclosed
US-6919342-B2 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2005-07-19 US disclosed
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-12-23 US disclosed
WO-2004108706-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-12-16 WO disclosed
EP-1484330-A1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2004-12-08 EP disclosed
US-6486162-B2 FOR THERAPY OF DISORDER OF THE CENTRAL NERVOUS SYSTEM WHICH RESPONDS TO DOPAMINE D3 LIGANDS SUCH AS SCHIZOPHRENIA, DEPRESSION, NEUROSES AND PSYCHOSES ABBOTT LABORATORIES 2002-11-26 US disclosed
US-6472392-B1 Triazole compounds and the use thereof as dopamine-D3 -ligands ABBOTT LABORATORIES 2002-10-29 US disclosed
US-20020143179-A1 2-{3-[4-(2-T-butyl-6-trifluoromethyl-4-pyrimidinyl)-1- piperazinyl] propylthio}-4-pyrimidinol fumarate ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-10-03 US disclosed
EP-0994865-B1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D 3-LIGANDS BASF AG (DE) 2002-03-06 EP disclosed
US-20010020022-A1 2{3-[4-(2-T-BUTYL-6-TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO} PYRIMIDIN-4-OL-FUMARATE BASF AKTIENGESELLSCHAFT (DE) 2001-09-06 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 (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-20020143179-A1 2-{3-[4-(2-T-butyl-6-trifluoromethyl-4-pyrimidinyl)-1- piperazinyl] propylthio}-4-pyrimidinol fumarate SLC6A3, DRD2, DRD3 DRD2 2/4885DRD3 3/4885
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, SLC6A3, DRD2 DRD2 3/4885DRD3 1/4885
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ADRB3, DRD3, ADORA3 DRD2 9/4885DRD3 2/4885
US-20010020022-A1 2{3-[4-(2-T-BUTYL-6-TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO} PYRIMIDIN-4-OL-FUMARATE SLC6A3, DRD2, DRD3 DRD2 2/4885DRD3 3/4885
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R DRD2 72/4885DRD3 60/4885

“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.