SCHEMBL2116961

SCHEMBL2116961

O=C(O)NC1C[C@@H]2O[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
PMP22 Q01453 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
PPP1CA P62136 2/20 0.36
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
ATM Q13315 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL15914393 1.00 TFPI2 (0.37) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL458523 1.00 TFPI2 (0.37) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL15914391 1.00 TFPI2 (0.37) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL15914392 1.00 TFPI2 (0.37) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL468430 0.87 TFPI2 (0.41) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL20679256 0.87 TFPI2 (0.41) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL9978357 0.87 TFPI2 (0.41) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL15378131 0.87 TFPI2 (0.41) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL468523 0.87 TFPI2 (0.41) TFPI2LMNAKDM4EGMNNPMP22
SCHEMBL844707 0.87 TFPI2 (0.41) TFPI2LMNAKDM4EGMNNPMP22

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
EP-4122935-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2023-01-25 EP disclosed
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
EP-3608325-B1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2022-07-06 EP 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
EP-3608325-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2020-02-12 EP disclosed
EP-3067358-B1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2019-08-07 EP 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-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-20170057976-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2017-03-02 US disclosed
EP-3067358-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2016-09-14 EP 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-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2014-08-07 US disclosed
US-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 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 TFPI2 3705/4885LMNA 3159/4885KDM4E 2136/4885
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 TFPI2 4318/4885LMNA 2522/4885KDM4E 1069/4885
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 TFPI2 4659/4885LMNA 3301/4885KDM4E 1600/4885
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 TFPI2 4391/4885LMNA 2194/4885KDM4E 1609/4885
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L TFPI2 3193/4885LMNA 3835/4885KDM4E 400/4885
US-20140221356-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L TFPI2 3193/4885LMNA 3835/4885KDM4E 400/4885
US-20170057976-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L TFPI2 3193/4885LMNA 3835/4885KDM4E 400/4885
US-20170260204-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L TFPI2 3193/4885LMNA 3835/4885KDM4E 400/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 TFPI2 3971/4885LMNA 3018/4885KDM4E 2179/4885

“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.