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Sugi Predict / Compounds / SCHEMBL1789709

SCHEMBL1789709

SCHEMBL1789709

CC(C)(C)OC(=O)N1CCc2ccc(C(=O)O)cc2CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.60
▸ NR1H2 P55055 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.50
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ MYC P01106 1/20 0.45
▸ GPR119 Q8TDV5 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42

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
SCHEMBL7082357 0.93 ESR2 (0.53) ESR2NR1H2ALDH1A1NPC1RAB9A
SCHEMBL622590 0.92 NR1H2 (0.70) ESR2NR1H2ALDH1A1NPC1RAB9A
SCHEMBL306991 0.92 ESR2 (0.72) ESR2NR1H2ALDH1A1NPC1RAB9A
SCHEMBL29406723 0.92 ESR2 (0.72) ESR2NR1H2ALDH1A1NPC1RAB9A
SCHEMBL29373737 0.92 NR1H2 (0.70) ESR2NR1H2ALDH1A1NPC1RAB9A
SCHEMBL1787596 0.89 ESR2 (0.60) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL9052660 0.88 NR1H2 (0.61) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL5663801 0.86 ESR2 (0.57) ESR2NR1H2ALDH1A1NPC1RAB9A
SCHEMBL5170947 0.86 ESR2 (0.52) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL1649493 0.85 NR1H2 (0.62) ESR2NR1H2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 — — US disclosed
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 — — US disclosed
CN-108137542-B Pyridone dicarboxamides as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-27 — — CN disclosed
WO-2021231927-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-18 — — WO disclosed
WO-2021231927-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-18 — — WO disclosed
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-23 — — US disclosed
US-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-10-01 — — US disclosed
US-20180258044-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-13 — — US disclosed
EP-2683710-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-19 — — EP disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 — — US disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 — — US disclosed
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 — — EP disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 — — WO disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 — — US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 — — US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 — — US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 — — EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 — — EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 — — EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 — — 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 (8 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-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND AR, GPER1, CRBN ESR2 34/4885NR1H2 361/4885ALDH1A1 291/4885
US-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT ESR2 2689/4885NR1H2 978/4885ALDH1A1 1362/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ESR2 1305/4885NR1H2 1313/4885ALDH1A1 3946/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ESR2 1305/4885NR1H2 1313/4885ALDH1A1 3946/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ESR2 1501/4885NR1H2 697/4885ALDH1A1 3567/4885
US-20180258044-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT ESR2 2689/4885NR1H2 978/4885ALDH1A1 1362/4885
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT ESR2 2689/4885NR1H2 978/4885ALDH1A1 1362/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ESR2 115/4885NR1H2 65/4885ALDH1A1 2561/4885

“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.