SCHEMBL15934751

SCHEMBL15934751

CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.55
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
NR1H2 P55055 1/20 0.46
HSD11B1 P28845 1/20 0.45
ELANE P08246 1/20 0.37
HPGD P15428 1/20 0.36
ABCB1 P08183 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.34
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL15934759 1.00 PREP (0.55) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL4363279 1.00 PREP (0.55) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL4363280 1.00 PREP (0.55) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL981972 0.90 CHRM2 (0.59) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL17577869 0.90 CHRM2 (0.59) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL11912368 0.90 CHRM2 (0.59) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL15934591 0.90 CHRM2 (0.59) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL15773320 0.90 CHRM2 (0.59) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL15934635 0.90 CHRM2 (0.59) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL15934750 0.87 PREP (0.52) PREPCHRM2CHRM1CHRM3NR1H2

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 1933/4885CHRM2 238/4885CHRM1 52/4885
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 1778/4885CHRM2 111/4885CHRM1 18/4885
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 2122/4885CHRM2 338/4885CHRM1 92/4885
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 1918/4885CHRM2 100/4885CHRM1 22/4885
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM2 102/4885CHRM1 29/4885
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM2 102/4885CHRM1 29/4885
US-20170057976-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM2 102/4885CHRM1 29/4885
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L PREP 131/4885CHRM2 102/4885CHRM1 29/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 PREP 1749/4885CHRM2 636/4885CHRM1 119/4885

“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.