SCHEMBL946953

SCHEMBL946953

[CH](Cc1ccccc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SIGMAR1 Q99720 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 3/20 0.45
FKBP1A P62942 1/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
TMEM97 Q5BJF2 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
SCHEMBL945418 0.81 MAOB (0.48) LMNASIGMAR1TSHRHPGDMAOB
SCHEMBL6666145 0.81 MAPK1 (0.57) LMNASIGMAR1POLBHTTFKBP1A
SCHEMBL949223 0.79 TSHR (0.48) LMNASIGMAR1HTTTSHRHPGD
SCHEMBL29116764 0.78 SIGMAR1 (0.51) SIGMAR1POLBHTTTSHRHPGD
SCHEMBL28200773 0.77 AKR1C3 (0.49) LMNAPOLBTSHRMEN1KMT2A
SCHEMBL4696739 0.76 SIGMAR1 (0.55) SIGMAR1TSHRMAOBMEN1KMT2A
SCHEMBL1850666 0.76 MC4R (0.55) SIGMAR1HPGDMAOBMAPK1HSD17B10
SCHEMBL8708628 0.76 POLB (0.53) LMNASIGMAR1POLBHTTTSHR
SCHEMBL4425955 0.73 POLB (0.58) SIGMAR1POLBHTTMEN1KMT2A
SCHEMBL6985268 0.72 DRD4 (0.43) SIGMAR1CYP1A2CYP2C9

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 WO claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2004-02-05 US claimed
EP-1326848-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2003-07-16 EP claimed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 WO claimed
CN-116583521-A Imidazopyridazine derivatives as IL-17 modulators UCB生物制药有限责任公司 2023-08-11 CN disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2004-02-05 US disclosed
EP-1326848-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2003-07-16 EP disclosed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 LMNA 3497/4885SIGMAR1 1884/4885POLB 3905/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 LMNA 3497/4885SIGMAR1 1884/4885POLB 3905/4885
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors DPEP1, DNPEP, PEPD LMNA 4842/4885SIGMAR1 4388/4885POLB 3661/4885

“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.