SCHEMBL1947698

SCHEMBL1947698

CC(C)(C)OC(=O)N1CCCC12CCCNC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.42
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
SOS1 Q07889 1/20 0.37
SOS2 Q07890 1/20 0.37
SPR P35270 4/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.34
NAMPT P43490 5/20 0.34
HPGD P15428 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
SCHEMBL16528900 0.96 JAK3 (0.44) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL22481424 0.94 JAK3 (0.40) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL31450504 0.94 JAK3 (0.42) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL34473824 0.94 JAK3 (0.42) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL1771960 0.94 JAK3 (0.42) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL1555738 0.90 JAK3 (0.44) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL22169129 0.90 SOS1 (0.41) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL10277023 0.90 SOS1 (0.45) JAK3GRIN2BGRIN2CSOS1SOS2
SCHEMBL18340068 0.89 JAK3 (0.44) JAK3GRIN2BGRIN2CSPRUSP2
SCHEMBL4910509 0.88 SOS1 (0.44) JAK3GRIN2BGRIN2CSOS1SOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) 2024-05-30 US disclosed
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-05-09 US disclosed
CN-114907338-B Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-06 CN disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 EP disclosed
CN-111278840-B Pyrrolo [2,3-B ] pyridine compounds and their use for the treatment of cancer 癌症研究科技有限公司 2023-11-17 CN disclosed
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
WO-2022166642-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京志健金瑞生物医药科技有限公司 2022-08-11 WO disclosed
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-8609647-B2 Nitrogen-containing spirocyclic compounds and pharmaceutical uses thereof JAPAN TOBACCO INC. (JP) 2013-12-17 US disclosed
WO-2013066718-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
EP-2460806-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco, Inc. (JP) 2012-06-06 EP disclosed
EP-2460806-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco, Inc. (JP) 2012-06-06 EP disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 US disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 US disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 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 (6 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-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 JAK3 899/4885GRIN2B 2949/4885GRIN2C 2718/4885
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NPR1 JAK3 570/4885GRIN2B 3350/4885GRIN2C 3978/4885
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 JAK3 899/4885GRIN2B 2949/4885GRIN2C 2718/4885
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, NPR1 JAK3 504/4885GRIN2B 3458/4885GRIN2C 4028/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 JAK3 1400/4885GRIN2B 1631/4885GRIN2C 861/4885
US-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF RET, WEE1, JAK2 JAK3 28/4885GRIN2B 2960/4885GRIN2C 2058/4885

“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.