SCHEMBL10166

SCHEMBL10166

O=C1NCCC12CCC1(CC2)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTUD7B Q6GQQ9 1/20 0.39
▸ GAA P10253 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ CCNC P24863 5/20 0.31
▸ CDK8 P49336 5/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ POLB P06746 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
SCHEMBL16835493 0.89 GAA (0.33) OTUD7BGAAL3MBTL1ALDH1A1POLB
SCHEMBL38665546 0.84 OTUD7B (0.39) OTUD7B
SCHEMBL479513 0.82 — —
2-Decanone SCHEMBL12491379 0.79 NAAA (0.37) ALDH1A1CYP2C9
SCHEMBL12491380 0.79 NAAA (0.37) ALDH1A1CYP2C9
SCHEMBL22729021 0.78 OTUD7B (0.35) OTUD7BPOLBTDP1
SCHEMBL17506547 0.78 OTUD7B (0.40) OTUD7BCYP3A4TNKSCYP2C9TNKS2
SCHEMBL19659532 0.77 OTUD7B (0.42) OTUD7BGAACYP3A4TNKSCYP2C9
SCHEMBL12491086 0.76 OTUD7B (0.36) OTUD7BCYP3A4TNKSCYP2C9TNKS2
SCHEMBL24203881 0.75 OTUD7B (0.41) OTUD7BGAACYP3A4TNKSCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 — — US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 — — US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 — — US disclosed
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 — — US disclosed
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 — — US disclosed
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 — — US disclosed
EP-4182299-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 Merck Sharp & Dohme LLC (US) 2023-05-24 — — EP disclosed
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-26 — — US disclosed
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-26 — — US disclosed
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 — — US disclosed
WO-2012123432-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
WO-2012123468-A1 NEW AZASPIRODECANONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
WO-2012123468-A1 NEW AZASPIRODECANONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 — — US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 — — EP disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 — — WO disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 — — WO disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 — — US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 — — US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 — — 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-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 OTUD7B 1224/4885GAA 4270/4885L3MBTL1 657/4885
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS CYP51A1, HSD17B7, NR5A1 OTUD7B 3459/4885GAA 2396/4885L3MBTL1 4373/4885
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 OTUD7B 1224/4885GAA 4270/4885L3MBTL1 657/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE OTUD7B 1355/4885GAA 775/4885L3MBTL1 1469/4885
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT5, PRMT3 OTUD7B 1224/4885GAA 4270/4885L3MBTL1 657/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 OTUD7B 1535/4885GAA 4109/4885L3MBTL1 2617/4885

“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.

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