SCHEMBL1106913

SCHEMBL1106913

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(O)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 2/20 0.68
SIRT6 Q8N6T7 3/20 0.63
THRB P10828 1/20 0.56
PKM P14618 1/20 0.56
MET P08581 1/20 0.51
PDK2 Q15119 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GPR119 Q8TDV5 3/20 0.46
NAMPT P43490 1/20 0.46
ABCB1 P08183 1/20 0.46
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL30307835 1.00 MAPT (0.68) MAPTALDH1A1LMNASIRT6THRB
SCHEMBL5234769 0.96 MAPT (0.63) MAPTALDH1A1LMNASIRT6THRB
SCHEMBL5216622 0.91 MAPT (0.68) MAPTALDH1A1LMNASIRT6MET
SCHEMBL16270620 0.90 MAPT (0.71) MAPTALDH1A1LMNASIRT6MET
SCHEMBL29858317 0.90 MAPT (0.71) MAPTALDH1A1LMNASIRT6MET
SCHEMBL24794275 0.90 MAPT (0.56) MAPTALDH1A1LMNASIRT6THRB
SCHEMBL29709720 0.90 MAPT (0.56) MAPTALDH1A1LMNASIRT6THRB
SCHEMBL29803559 0.88 MAPT (0.68) MAPTALDH1A1LMNASIRT6MET
SCHEMBL214341 0.88 MAPT (0.68) MAPTALDH1A1LMNASIRT6MET
SCHEMBL16569830 0.87 MAPT (0.67) MAPTALDH1A1LMNASIRT6MET

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
EP-4581025-A1 PYRIDAZINON DERIVATIVES AS KAT2 DEGRADERS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Auron Therapeutics, Inc. (US) 2025-07-09 EP disclosed
US-12286424-B2 Small molecule inhibitors of galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 US disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed
WO-2024050078-A1 PYRIDAZINON DERIVATIVES AS KAT2 DEGRADERS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AURON THERAPEUTICS, INC. (US) 2024-03-07 WO disclosed
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
EP-4149939-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2023-03-22 EP disclosed
CN-115551850-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2022-12-30 CN disclosed
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 US disclosed
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 US disclosed
WO-2021231243-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-18 WO disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
EP-2407453-A1 PGD2 receptor antagonist Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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 (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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 MAPT 4835/4885ALDH1A1 1440/4885LMNA 3756/4885
US-12286424-B2 Small molecule inhibitors of galectin-3 LGALS3, LGALS1, LGALS3BP MAPT 3151/4885ALDH1A1 2713/4885LMNA 1394/4885
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP MAPT 3151/4885ALDH1A1 2713/4885LMNA 1394/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 MAPT 2814/4885ALDH1A1 591/4885LMNA 4065/4885
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 MAPT 1369/4885ALDH1A1 1191/4885LMNA 828/4885

“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.