SCHEMBL3155118

SCHEMBL3155118

Brc1coc(C2OCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL13068622 0.74 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3564666 0.65 CCNB2 (0.31)
SCHEMBL14777515 0.65 CCNB2 (0.32)
SCHEMBL17410397 0.63
SCHEMBL6108659 0.62
SCHEMBL20263723 0.62 NPC1 (0.32)
SCHEMBL1680716 0.61 MEN1 (0.31)
SCHEMBL20388652 0.61 ALDH1A1 (0.33)
SCHEMBL10561767 0.61 HPGD (0.33)
SCHEMBL20590031 0.61

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1860114-A Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals ESTEVE LABOR DR (ES) 2006-11-08 CN claimed
US-7087590-B2 19-norbufalin derivatives, their preparation and pharmaceutical compositions containing them YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-08-08 US claimed
US-20030162701-A1 19-norbufalin derivatives, their preparation and pharmaceutical compositions containing them YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-08-28 US claimed
EP-1280816-A1 19-NORBUFALIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-02-05 EP claimed
WO-2001079256-A1 19-NORBUFALIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-25 WO claimed
US-10426762-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-10-01 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
CN-106470986-A Cyclohexene 1 yl pyridines 2 base 1H pyrazoles 4 formic acid derivates and its purposes as soluble guanylate cyclase activators 诺华股份有限公司 2017-03-01 CN disclosed
US-9284303-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-15 US disclosed
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2013-12-05 US disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 US disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO disclosed
US-20030162701-A1 19-norbufalin derivatives, their preparation and pharmaceutical compositions containing them YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-08-28 US disclosed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO disclosed
EP-1280816-A1 19-NORBUFALIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-02-05 EP disclosed
WO-2001079256-A1 19-NORBUFALIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-25 WO disclosed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP disclosed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 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 (5 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-20030162701-A1 19-norbufalin derivatives, their preparation and pharmaceutical compositions containing them ATP6V1B2, ATP6V1B1, ATP1A2 CHRM2 4038/4885CHRM4 4424/4885CHRM5 4590/4885
US-10426762-B2 Inhibitors of hepatitis C virus polymerase POLR2E, POLR2H, GTF3C3 CHRM2 3992/4885CHRM4 4410/4885CHRM5 4121/4885
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 CHRM2 667/4885CHRM4 340/4885CHRM5 490/4885
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JAK1, IL6, JAK3 CHRM2 361/4885CHRM4 1463/4885CHRM5 1256/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 CHRM2 3992/4885CHRM4 4410/4885CHRM5 4121/4885

“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.