SCHEMBL1764027

SCHEMBL1764027

O=C1CCSc2ccccc2N1CCCCCl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL8853435 0.86 DRD2 (0.50) MEN1KMT2AHTTDRD2DRD3
SCHEMBL1763985 0.86 TSHR (0.57) LMNAGSK3BALDH1A1NPSR1TSHR
SCHEMBL4101516 0.81 TSHR (0.58) LMNAGSK3BALDH1A1NPSR1TSHR
SCHEMBL8853517 0.78 MEN1 (0.73) MEN1KMT2AHTTTP53MAPT
SCHEMBL5112508 0.78 MEN1 (0.60) MEN1KMT2AHTTTP53MAPT
SCHEMBL11197723 0.78 KDM1A (0.57) MEN1KMT2AHTTDRD2DRD3
SCHEMBL6542687 0.77 MEN1 (0.50) MEN1KMT2AHTTTP53MAPT
SCHEMBL31033175 0.77 TP53 (0.50) MEN1KMT2AHTTDRD2DRD3
SCHEMBL1035991 0.77 DRD2 (0.61) DRD2DRD3
SCHEMBL10979732 0.76 MAPT (0.36) MEN1KMT2AHTTMAPTLMNA

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 4856/4885KMT2A 4121/4885HTT 551/4885
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R MEN1 3673/4885KMT2A 3783/4885HTT 3632/4885

“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.