Roxatidine Acetate

Roxatidine Acetate

SCHEMBL482841

CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.O=C([O-])[O-].[Ca+2]

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Roxatidine Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.93
HRH3 Q9Y5N1 1/20 0.93

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
Roxatidine Acetate SCHEMBL29965995 0.96 HRH2 (1.00) HRH2HRH3
SCHEMBL11399763 0.96 HRH2 (1.00) HRH2HRH3
Roxatidine Acetate SCHEMBL1393 0.96 HRH2 (1.00) HRH2HRH3
Roxatidine Acetate SCHEMBL667643 0.95 HRH2 (0.98) HRH2HRH3
Roxatidine Acetate SCHEMBL29389759 0.95 HRH2 (0.98) HRH2HRH3
SCHEMBL11182082 0.95 HRH2 (0.98) HRH2HRH3
Roxatidine Acetate SCHEMBL1650455 0.94 HRH2 (0.96) HRH2HRH3
Roxatidine Acetate SCHEMBL9084471 0.94 HRH2 (0.96) HRH2HRH3
Roxatidine Acetate SCHEMBL2322201 0.91 HRH2 (0.89) HRH2HRH3
SCHEMBL11179081 0.87 HRH2 (0.83) HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011528275-A 2011-11-17 JP claimed
EP-2313122-A1 DRUG DELIVERY MEDICAL DEVICE Micell Technologies, Inc. (US) 2011-04-27 EP claimed
WO-2010009335-A1 DRUG DELIVERY MEDICAL DEVICE MICELL TECHNOLOGIES, INC. (US) 2010-01-21 WO claimed
US-12011432-B2 Method of modulating ribonucleotide reductase CASE WESTERN RESERVE UNIVERSITY (US) 2024-06-18 US disclosed
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
US-20230016609-A1 MESOPOROUS SILICA NANOPARTICLES FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-01-19 US disclosed
US-11260127-B2 Mesoporous silica nanoparticles for diagnostic and therapeutic applications CASE WESTERN RESERVE UNIVERSITY (US) 2022-03-01 US disclosed
US-20210299095-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE CASE WESTERN RESERVE UNIVERSITY 2021-09-30 US disclosed
US-20210220341-A1 SECURININE AND NORSECURININE ANALOGUE COMPOUNDS FOR THE TREATMENT OF MYELOID DISORDERS UNIV CASE WESTERN RESERVE (US) 2021-07-22 US disclosed
US-11065202-B2 Multi-component nanochains CASE WESTERN RESERVE UNIVERSITY (US) 2021-07-20 US disclosed
US-20210186875-A9 MULTI-COMPONENT NANOCHAINS CASE WESTERN RESERVE UNIVERSITY 2021-06-24 US disclosed
EP-1140192-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140182-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENT, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038665-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038718-A2 USE OF MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENTS, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 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 (4 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-20210220341-A1 SECURININE AND NORSECURININE ANALOGUE COMPOUNDS FOR THE TREATMENT OF MYELOID DISORDERS MYADM, MCL1, PRTN3 HRH2 3238/4885HRH3 3356/4885
US-20210299095-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 HRH2 1345/4885HRH3 2545/4885
US-12011432-B2 Method of modulating ribonucleotide reductase RRM2, RRM2B, RRM1 HRH2 1345/4885HRH3 2545/4885
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 HRH2 3087/4885HRH3 3182/4885

“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.