SCHEMBL15934701

SCHEMBL15934701

CC(C)(C)OC(=O)N1C2CCCC(C2)[C@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
PREP P48147 4/20 0.51
NR1H2 P55055 1/20 0.46
HSD11B1 P28845 1/20 0.39
KAT2B Q92831 1/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
CTSK P43235 1/20 0.34
EPHX1 P07099 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL17577869 0.91 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL15934591 0.91 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL15773320 0.91 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL981972 0.91 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL15934635 0.91 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL11912368 0.91 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL18567038 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL29749670 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL15821536 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL19246219 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3PREPNR1H2

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 16 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-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-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 (8 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 CHRM2 238/4885CHRM1 52/4885CHRM3 481/4885
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 CHRM2 111/4885CHRM1 18/4885CHRM3 103/4885
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 CHRM2 338/4885CHRM1 92/4885CHRM3 255/4885
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 CHRM2 100/4885CHRM1 22/4885CHRM3 103/4885
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L CHRM2 102/4885CHRM1 29/4885CHRM3 297/4885
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L CHRM2 102/4885CHRM1 29/4885CHRM3 297/4885
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L CHRM2 102/4885CHRM1 29/4885CHRM3 297/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 CHRM2 636/4885CHRM1 119/4885CHRM3 963/4885

“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.