SCHEMBL945317

SCHEMBL945317

[CH2]C(c1ccccc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KEAP1 Q14145 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
POLB P06746 1/20 0.40
SLC6A3 Q01959 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.37
DAO P14920 1/20 0.37
AHR P35869 1/20 0.37
HPGDS O60760 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5063737 0.85 CES2 (0.47) MAPTTSHRCES2CES1KEAP1
SCHEMBL9869507 0.84 SLC6A3 (0.41) MAPTCES2CES1KEAP1SLC6A3
SCHEMBL6568726 0.81 MAPT (0.44) MAPTTSHRCES2CES1KEAP1
SCHEMBL4167223 0.80 MAPT (0.42) MAPTTSHRCES2CES1KEAP1
SCHEMBL31065464 0.79 MAPT (0.57) MAPTTSHRCES2CES1KEAP1
SCHEMBL1537396 0.79 MAPT (0.57) MAPTTSHRCES2CES1KEAP1
SCHEMBL3645137 0.76 MAPT (0.46) MAPTTSHRCES2CES1KEAP1
SCHEMBL9563208 0.76 MAPT (0.42) MAPTTSHRCES2CES1KEAP1
SCHEMBL6563562 0.76 HTT (0.43) MAPTTSHROPRM1OPRD1OPRK1
SCHEMBL4001740 0.76 MAPT (0.46) MAPTTSHRCES2CES1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292634-A Mu/delta opioid receptor dual agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-08-24 CN disclosed
EP-2084216-B1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS CYTEC SURFACE SPECIALTIES SA (BE) 2013-08-07 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US 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-20100075062-A1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS CYTEC SURFACE SPECIALITIES S.A. (BE) 2010-03-25 US disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 WO 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

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 MAPT 3471/4885TSHR 1015/4885CES2 3935/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 MAPT 3471/4885TSHR 1015/4885CES2 3935/4885
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL MAPT 3228/4885TSHR 1530/4885CES2 1652/4885

“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.