SCHEMBL1987007

SCHEMBL1987007

O=C1CCC2(CCCC2)C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.57
CYP19A1 P11511 3/20 0.35
TBXAS1 P24557 1/20 0.34

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
SCHEMBL2732740 0.98 CRBN (0.55) CRBNCYP19A1TBXAS1
SCHEMBL278215 0.90 CRBN (0.50) CRBNCYP19A1TBXAS1
SCHEMBL277992 0.88 CRBN (0.48) CRBNCYP19A1TBXAS1
SCHEMBL278221 0.88 CRBN (0.48) CRBNCYP19A1TBXAS1
SCHEMBL9576585 0.88 CRBN (0.48) CRBNCYP19A1TBXAS1
SCHEMBL5435030 0.88 CRBN (0.48) CRBNCYP19A1TBXAS1
SCHEMBL277887 0.88 CRBN (0.48) CRBNCYP19A1TBXAS1
SCHEMBL278367 0.85 CRBN (0.50) CRBNCYP19A1TBXAS1
SCHEMBL22018269 0.81 CRBN (0.77) CRBN
SCHEMBL19586017 0.80 CRBN (0.44) CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
CN-111757900-B Method for reducing aldehyde emissions in polyurethane-containing materials 亨茨曼国际有限公司 2022-07-05 CN disclosed
EP-3728368-A1 METHOD FOR REDUCTION OF ALDEHYDE EMISSION IN POLYURETHANE COMPRISING MATERIALS Huntsman International LLC (US) 2020-10-28 EP disclosed
CN-111757900-A Method for reducing aldehyde emissions in polyurethane-containing materials 亨茨曼国际有限公司 2020-10-09 CN disclosed
CN-104159942-B Comprise the curable compositions of polyisocyantates composition 亨茨曼国际有限公司 2016-10-12 CN disclosed
EP-2830761-A1 POLYISOCYANATE TRIMERIZATION CATALYST COMPOSITION Huntsman International LLC (US) 2015-02-04 EP disclosed
CN-104159942-A Curable composition comprising a polyisocyanate composition HUNTSMAN INT LLC 2014-11-19 CN disclosed
EP-2797974-A1 CURABLE COMPOSITION COMPRISING A POLYISOCYANATE COMPOSITION Huntsman International LLC (US) 2014-11-05 EP disclosed
WO-2013143841-A1 POLYISOCYANATE TRIMERIZATION CATALYST COMPOSITION HUNTSMAN INTERNATIONAL LLC (US) 2013-10-03 WO disclosed
WO-2013098034-A1 CURABLE COMPOSITION COMPRISING A POLYISOCYANATE COMPOSITION HUNTSMAN INTERNATIONAL LLC (US) 2013-07-04 WO disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
EP-1730142-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-13 EP disclosed
US-20050222047-A1 Novel ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION 2005-10-06 US disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP disclosed
US-6506764-B1 B-X-(CH2)m-CR1R2-(CH2)n-CO-Y (I) have therapeutic utility as inhibitors of metalloproteinases etc. for medicine by human articular cartilage cells and also involved in the destruction of myelin basic protein, a phenomenon associated with DARWIN DISCOVERY, LTD. (GB) 2003-01-14 US disclosed
EP-1177174-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2002-02-06 EP disclosed
WO-2000069822-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-11-23 WO disclosed
US-4956368-A Antipsychotic agents BRISTOL-MYERS COMPANY (US) 1990-09-11 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 (1 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-20050222047-A1 Novel ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus PREP, P4HB, P4HA1 CRBN 645/4885CYP19A1 340/4885TBXAS1 2675/4885

“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.