SCHEMBL1764005

SCHEMBL1764005

CC(=O)c1ccc2c(c1)N(CCCCBr)C(=O)CO2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
POLB P06746 3/20 0.50
ALOX15 P16050 1/20 0.50
KMO O15229 1/20 0.50
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 2/20 0.46
PLK1 P53350 1/20 0.46
THRB P10828 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL1763825 0.90 MAPT (0.56) MAPTPOLBALOX15KMOTP53
SCHEMBL4258747 0.85 MAPT (0.59) MAPTPOLBKMOTP53TSHR
SCHEMBL1764373 0.83 TSHR (0.62) MAPTPOLBTP53TSHRHTT
SCHEMBL8410033 0.80 HTT (0.58) MAPTPOLBALOX15KMOTSHR
SCHEMBL1119881 0.80 PTGER3 (0.51) MAPTALOX15KMOTSHRHTT
SCHEMBL4059758 0.79 TSHR (0.64) MAPTPOLBTP53TSHRHTT
SCHEMBL707635 0.78 KCNH2 (0.60) MAPTALOX15KMOTSHRHTT
SCHEMBL4106082 0.78 CHRM1 (0.66) MAPTKCNH2
SCHEMBL13089017 0.78 TSHR (0.58) MAPTPOLBKMOTP53TSHR
SCHEMBL4249933 0.77 HTT (0.73) MAPTALOX15TSHRHTTALDH1A1

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 8 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-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
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 (2 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 MAPT 1818/4885POLB 1851/4885ALOX15 3205/4885
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R MAPT 3614/4885POLB 1121/4885ALOX15 2815/4885

“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.