Sugi Predict

Sugi Predict / Compounds / SCHEMBL993941

SCHEMBL993941

SCHEMBL993941

CC(C)(C)OC(=O)N1CCC(N2CC(F)(F)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ RECQL P46063 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CTSD P07339 1/20 0.44
▸ CTSE P14091 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ GPR119 Q8TDV5 4/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
Hydrochloric Acid SCHEMBL27149981 0.92 HPGD (0.43) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL27154630 0.91 CTSD (0.43) HPGDRECQLEPHX1CTSDCTSE
SCHEMBL3597743 0.90 HPGD (0.46) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL16992583 0.88 HPGD (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL13661300 0.87 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL30879392 0.86 HPGD (0.45) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2674822 0.84 NR1H2 (0.45) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL31334323 0.84 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL27038195 0.83 MEN1 (0.47) HPGDEPHX1USP2SMN1; SMN2CTSD
SCHEMBL2549315 0.81 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 — — US disclosed
US-12024499-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-02 — — US disclosed
US-12024499-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-02 — — US disclosed
US-12024499-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-02 — — US disclosed
CN-117120443-A Compounds as adenosine A2a receptor antagonists and pharmaceutical compositions containing the same 株式会社 钟根堂 2023-11-24 — — CN disclosed
US-20230002354-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2023-01-05 — — US disclosed
US-20230002354-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2023-01-05 — — US disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 — — WO disclosed
US-11254656-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2022-02-22 — — US disclosed
US-11254656-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2022-02-22 — — US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 — — WO disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 — — WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 — — US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 — — US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 — — US disclosed
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 — — EP disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 — — EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 — — WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 — — WO disclosed
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 — — 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-20230002354-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 HPGD 3386/4885RECQL 831/4885EPHX1 1094/4885
US-11254656-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 HPGD 3386/4885RECQL 831/4885EPHX1 1094/4885
US-12024499-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 HPGD 3386/4885RECQL 831/4885EPHX1 1094/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B HPGD 2234/4885RECQL 1281/4885EPHX1 1299/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HPGD 3173/4885RECQL 439/4885EPHX1 1352/4885

“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.