SCHEMBL1764355

SCHEMBL1764355

CC(C)(C)c1nc(N2CCN(C/C=C/CCl)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.61
DRD3 P35462 20/20 0.61

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
SCHEMBL1764357 1.00 DRD2 (0.61) DRD2DRD3
SCHEMBL2350239 0.83 DRD2 (0.61) DRD2DRD3
SCHEMBL2350233 0.83 DRD2 (0.61) DRD2DRD3
Hydrochloric Acid SCHEMBL1764083 0.82 DRD2 (0.60) DRD2DRD3
Hydrochloric Acid SCHEMBL1764081 0.82 DRD2 (0.60) DRD2DRD3
SCHEMBL392268 0.81 DRD2 (0.66) DRD2DRD3
SCHEMBL2232549 0.79 DRD2 (0.67) DRD2DRD3
SCHEMBL7451166 0.79 DRD2 (0.55) DRD2DRD3
SCHEMBL6600239 0.77 DRD2 (0.66) DRD2DRD3
SCHEMBL2998314 0.77 DRD3 (1.00) 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 11 patents. 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
US-8268815-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2012-09-18 US disclosed
EP-2361908-A1 Pyrimidine compounds useful for the treatment of CNS diseases Abbott GmbH & Co. KG (DE) 2011-08-31 EP disclosed
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2011-05-19 US disclosed
US-7786105-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2010-08-31 US disclosed
US-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US disclosed
EP-1692129-B1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-08-20 EP disclosed
US-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-03 US disclosed
US-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 US disclosed
EP-1751116-A2 PYRIMIDINE COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2007-02-14 EP disclosed
WO-2005118558-A2 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-12-15 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 (3 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-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease SLC6A3, GRM3, GPR3 DRD2 20/4885DRD3 4/4885
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R DRD2 72/4885DRD3 60/4885
US-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 DRD2 7/4885DRD3 2/4885

“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.