SCHEMBL8749334

SCHEMBL8749334

CC(C)(C)OC(=O)N1C(C(=O)O)[C@H]2CC[C@@H]1C2

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.68
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
HSD11B1 P28845 1/20 0.40
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 4/20 0.36
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
BTK Q06187 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL6121900 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL16824585 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL6504447 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL16856331 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL18177046 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL903505 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL12294932 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL21863336 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL20689888 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL22811006 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 US disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 US disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10603313-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2020-03-31 US disclosed
WO-2020023073-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR Chiromics, LLC (US) 2020-01-30 WO disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140377223-A1 SUBSTITUTED BIPHENYLENE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2014-12-25 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
WO-2012018534-A2 SUBSTITUTED BIPHENYLENE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-02-09 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 (10 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885CHRM2 4881/4885CHRM1 4856/4885
US-10603313-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 PREP 4370/4885CHRM2 59/4885CHRM1 29/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM PREP 692/4885CHRM2 4384/4885CHRM1 4250/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885CHRM2 4881/4885CHRM1 4856/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885CHRM2 4881/4885CHRM1 4856/4885
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 PREP 4370/4885CHRM2 59/4885CHRM1 29/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885CHRM2 4881/4885CHRM1 4856/4885
US-20140377223-A1 SUBSTITUTED BIPHENYLENE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, CYP1B1, AHR PREP 1264/4885CHRM2 1324/4885CHRM1 1336/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885CHRM2 4881/4885CHRM1 4856/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 PREP 4370/4885CHRM2 59/4885CHRM1 29/4885

“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.