SCHEMBL993845

SCHEMBL993845

CC1(C)OB(c2c(F)ccc3[nH]ccc23)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
PARP1 P09874 1/20 0.35
TRPA1 O75762 2/20 0.31
GPR84 Q9NQS5 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
SCHEMBL15186915 0.83 PARP1 (0.33) LPLLIPGPARP1
SCHEMBL12890291 0.80 PARP1 (0.31) PARP1
SCHEMBL15186949 0.79 LPL (0.33) LPLLIPGPARP1
SCHEMBL18552592 0.79 PRKCQ (0.35)
SCHEMBL18552652 0.79 MTNR1A (0.39) PARP1
SCHEMBL1565470 0.78 LPL (0.36) LPLLIPGPARP1
SCHEMBL29763539 0.77 LPL (0.33) LPLLIPG
SCHEMBL28974108 0.76 KEAP1 (0.39) LPLLIPG
SCHEMBL21542750 0.76 IDO1 (0.37) LPLLIPGTRPA1
SCHEMBL31481795 0.75 TNF (0.45) LPLLIPGGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595255-B2 Heteroaryl-substituted imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2026-04-07 US disclosed
CN-118888845-A Electrolyte and lithium ion battery 惠州亿纬锂能股份有限公司 2024-11-01 CN disclosed
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 US disclosed
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives GRUENENTHAL GMBH (DE) 2024-10-03 US disclosed
US-11981677-B2 Further substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-05-14 US disclosed
EP-3823970-B1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-03 EP disclosed
US-20230373978-A1 HETEROARYL-SUBSTITUTED IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-23 US disclosed
CN-116829546-A Novel heteroaryl substituted imidazole derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
EP-3823971-B1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-07-27 EP disclosed
CN-108137613-B Tricyclic heterocyclic compounds as phosphoinositide 3-kinase inhibitors 卡鲁斯治疗有限公司 2021-10-01 CN disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125835-A1 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO 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 (5 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-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 LPL 4179/4885LIPG 2444/4885PARP1 3234/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 LPL 4179/4885LIPG 2444/4885PARP1 3234/4885
US-20230373978-A1 HETEROARYL-SUBSTITUTED IMIDAZOLE DERIVATIVES F3, ABL1, CFTR LPL 3950/4885LIPG 4311/4885PARP1 2923/4885
US-12595255-B2 Heteroaryl-substituted imidazole derivatives CLIC1, CYP2B6, CYP2D6 LPL 2999/4885LIPG 2675/4885PARP1 2856/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 LPL 4415/4885LIPG 2751/4885PARP1 3012/4885

“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.