SCHEMBL1764564

SCHEMBL1764564

O=C1CCCC2=C1CCC(=O)N2CCCCBr

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1764554 0.84 MEN1 (0.35) MEN1POLBKMT2AFAAHMGLL
SCHEMBL9802927 0.83 MGLL (0.42) MEN1POLBKMT2AFAAHMGLL
SCHEMBL9802715 0.79 HTT (0.36) MEN1POLBKMT2AHTT
SCHEMBL11052023 0.77 MEN1 (0.53) MEN1POLBKMT2AFAAHMGLL
SCHEMBL10973154 0.77 FAAH (0.46) MEN1POLBKMT2AFAAHMGLL
SCHEMBL9803355 0.75 ALDH1A1 (0.40) MEN1POLBKMT2AMGLLHPGD
SCHEMBL9802993 0.72 KMT2A (0.49) MEN1POLBKMT2AMGLLTP53
SCHEMBL4531618 0.72 MEN1 (0.55) MEN1POLBKMT2AFAAHMGLL
SCHEMBL4390120 0.71 MEN1 (0.44) MEN1POLBKMT2AFAAHMGLL
SCHEMBL9803298 0.71 CHRM2 (0.35) MEN1POLBKMT2A

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 MEN1 4856/4885POLB 1851/4885KMT2A 4121/4885
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R MEN1 3673/4885POLB 1121/4885KMT2A 3783/4885

“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.