SCHEMBL15934699

SCHEMBL15934699

CCOC(=O)[C@@H]1C2CCCC(C2)N1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.55
CHRM1 P11229 4/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
CTSL P07711 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KAT2B Q92831 1/20 0.36
NR1H2 P55055 1/20 0.35
MAPT P10636 1/20 0.34
FKBP1A P62942 2/20 0.33
HSD11B1 P28845 1/20 0.33
ATM Q13315 1/20 0.33
EIF2AK4 Q9P2K8 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
SCHEMBL15934593 0.92 PREP (0.61) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL2097353 0.92 PREP (0.61) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL6621402 0.92 PREP (0.61) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL12294933 0.92 PREP (0.61) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL6620964 0.92 PREP (0.61) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL15934580 0.92 PREP (0.61) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL17862217 0.92 PREP (0.61) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL29545793 0.84 PREP (0.59) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL4356385 0.84 PREP (0.59) PREPCHRM1CHRM2CHRM3CTSL
SCHEMBL16071354 0.84 PREP (0.59) PREPCHRM1CHRM2CHRM3CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2021-02-25 US disclosed
US-10689399-B2 Substituted 3,4,5,6,8,10,14,14a-octahydro-2h-2,6-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazocines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2020-06-23 US disclosed
US-20190092787-A1 SUBSTITUTED 2,3,4,5,7,9,13,13A-OCTAHYDRO-1,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[1,3]DIAZEPINES AND METHODS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-03-28 US disclosed
US-10035809-B2 Substituted 2,3,4,5,7,9,13,13a-octahydro-1,5-methanopyrido[1′,2′:4,5]pyrazino[1,2-a][1,3]diazepines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2018-07-31 US disclosed
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2017-09-14 US disclosed
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2017-09-14 US disclosed
US-9732092-B2 Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]OXAZEPINES and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2017-08-15 US disclosed
US-9732092-B2 Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]OXAZEPINES and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2017-08-15 US disclosed
US-9663528-B2 Substituted 1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1',2'-d]pyrazines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2017-05-30 US disclosed
US-9663528-B2 Substituted 1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1',2'-d]pyrazines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2017-05-30 US disclosed
US-20170057976-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2017-03-02 US disclosed
US-20160176885-A1 SUBSTITUTED 1,2,3,4,6,8,12,12a-OCTAHYDRO-1,4-METHANODIPYRIDO[1,2-a:1',2'-d]PYRAZINES AND METHODS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
US-20160176885-A1 SUBSTITUTED 1,2,3,4,6,8,12,12a-OCTAHYDRO-1,4-METHANODIPYRIDO[1,2-a:1',2'-d]PYRAZINES AND METHODS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
EP-2822954-B1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2016-03-09 EP disclosed
US-9216996-B2 Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2015-12-22 US disclosed
US-9216996-B2 Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepines and methods for treating viral infections GILEAD SCIENCES, INC. (US) 2015-12-22 US disclosed
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2014-08-07 US disclosed
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2014-08-07 US 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 (9 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-20160176885-A1 SUBSTITUTED 1,2,3,4,6,8,12,12a-OCTAHYDRO-1,4-METHANODIPYRIDO[1,2-a:1',2'-d]PYRAZINES AND METHODS FOR TREATING VIRAL INFECTIONS PYM1, ZC3HAV1, ZYX PREP 1933/4885CHRM1 52/4885CHRM2 238/4885
US-20190092787-A1 SUBSTITUTED 2,3,4,5,7,9,13,13A-OCTAHYDRO-1,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[1,3]DIAZEPINES AND METHODS FOR TREATING VIRAL INFECTIONS ZC3HAV1, PYM1, CCR5 PREP 1778/4885CHRM1 18/4885CHRM2 111/4885
US-10689399-B2 Substituted 3,4,5,6,8,10,14,14a-octahydro-2h-2,6-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazocines and methods for treating viral infections PYM1, ZYX, XDH PREP 2122/4885CHRM1 92/4885CHRM2 338/4885
US-10035809-B2 Substituted 2,3,4,5,7,9,13,13a-octahydro-1,5-methanopyrido[1′,2′:4,5]pyrazino[1,2-a][1,3]diazepines and methods for treating viral infections PYM1, ZC3HAV1, CD4 PREP 1918/4885CHRM1 22/4885CHRM2 100/4885
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM1 29/4885CHRM2 102/4885
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM1 29/4885CHRM2 102/4885
US-20170057976-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM1 29/4885CHRM2 102/4885
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM1 29/4885CHRM2 102/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 PREP 1749/4885CHRM1 119/4885CHRM2 636/4885

“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.