SCHEMBL6899604

SCHEMBL6899604

COC(=O)C1CC(C)(C)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.54
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 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
SCHEMBL21797331 0.83 CHRNB2 (0.42) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25858433 0.83 CHRNB2 (0.42) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15778053 0.83 CHRNB2 (0.42) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17212631 0.82 APLNR (0.41) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15776462 0.81 CHRNB2 (0.41) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16249319 0.81 CHRNB2 (0.41) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14552089 0.80 APLNR (0.42) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14031505 0.79 CHRNB2 (0.39) APLNRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10084365 0.79 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14857774 0.79 SMN1; SMN2 (0.42) APLNRCHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320224-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2025-10-16 US disclosed
EP-4532496-A1 NOVEL PAR-2 INHIBITORS Domain Therapeutics (FR) 2025-04-09 EP disclosed
CN-119384420-A Novel PAR-2 inhibitors 多曼治疗学公司 2025-01-28 CN disclosed
EP-3541804-B1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-22 EP disclosed
CN-112805267-B Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2024-03-08 CN disclosed
WO-2023233033-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2023-12-07 WO disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
EP-3847154-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE SARL (LU) 2019-07-04 US disclosed
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 WO disclosed
US-9688669-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-20160237072-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
WO-2016001341-A1 SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-01-07 WO disclosed
WO-2016001341-A1 SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-01-07 WO disclosed
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 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 (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-20250320224-A1 NOVEL PAR-2 INHIBITORS F2RL1, F2R, F2RL3 APLNR 324/4885CHRNB2 1749/4885CHRNA4 3690/4885
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 APLNR 1938/4885CHRNB2 267/4885CHRNA4 315/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 APLNR 4831/4885CHRNB2 4634/4885CHRNA4 3221/4885
US-20160237072-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 APLNR 774/4885CHRNB2 165/4885CHRNA4 70/4885
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BDNF, PSEN1, CHRNA5 APLNR 2464/4885CHRNB2 55/4885CHRNA4 13/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 APLNR 1/4885CHRNB2 2126/4885CHRNA4 2888/4885
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 APLNR 4138/4885CHRNB2 4231/4885CHRNA4 3411/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R APLNR 4/4885CHRNB2 786/4885CHRNA4 991/4885

“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.