SCHEMBL5458873

SCHEMBL5458873

CC1C(OS(C)(=O)=O)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.38
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.37
ALOX15 P16050 1/20 0.36
SLC6A9 P48067 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
USP2 O75604 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL30642715 1.00 OPRD1 (0.38) OPRD1CYP2D6CYP3A4ALOX15SLC6A9
SCHEMBL5458868 1.00 OPRD1 (0.38) OPRD1CYP2D6CYP3A4ALOX15SLC6A9
SCHEMBL5450723 1.00 OPRD1 (0.38) OPRD1CYP2D6CYP3A4ALOX15SLC6A9
SCHEMBL24826487 0.84 CYP2D6 (0.36) OPRD1CYP2D6CYP3A4ALOX15TSHR
SCHEMBL30872207 0.82 OPRD1 (0.41) OPRD1CYP3A4SLC6A9L3MBTL1CYP2C9
SCHEMBL2849250 0.82 OPRD1 (0.36) OPRD1CYP2D6CYP3A4ALOX15SLC6A9
SCHEMBL2850422 0.82 OPRD1 (0.36) OPRD1CYP2D6CYP3A4ALOX15SLC6A9
SCHEMBL2849251 0.82 OPRD1 (0.36) OPRD1CYP2D6CYP3A4ALOX15SLC6A9
SCHEMBL5742744 0.81 CYP2D6 (0.48) OPRD1CYP2D6CYP3A4SLC6A9MEN1
SCHEMBL5744342 0.80 CYP2D6 (0.39) OPRD1CYP2D6CYP3A4ALOX15SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368616-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2025-12-04 US disclosed
US-20250206718-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-06-26 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO disclosed
EP-4495110-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2025-01-22 EP disclosed
EP-4393916-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
EP-4358942-A1 PHARMACEUTICAL COMPOSITIONS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR Blueprint Medicines Corporation (US) 2024-05-01 EP disclosed
EP-4359400-A1 SALT AND CRYSTAL FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR Blueprint Medicines Corporation (US) 2024-05-01 EP disclosed
WO-2024008048-A1 NOVEL PYRIMIDINE OR TRIAZINE-SUBSTITUTED PYRIDOHETEROCYCLIC COMPOUND 杭州德睿智药科技有限公司 2024-01-11 WO disclosed
WO-2023174406-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-09-21 WO disclosed
WO-2023160638-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-08-31 WO disclosed
EP-1288198-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-03-05 EP disclosed
EP-0406112-B1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity ESTEVE LABOR DR (ES) 1994-12-28 EP disclosed
US-5183902-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1993-02-02 US disclosed
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 US disclosed
US-5073646-A Chemical intermediates, microbiocides LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-12-17 US disclosed
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US disclosed
EP-0406112-A1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-01-02 EP disclosed
US-4956359-A CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES A. H. ROBINS COMPANY, INC. (US) 1990-09-11 US disclosed
EP-0194112-B1 3-ARYL-OXYAZETIDINECARBOXAMIDES HAVING ANTI-MUSCLE TENSION, ANTI-MUSCLE SPASTICITY, ANTICONVULSANT AND ANTIEPILECTIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-05-23 EP disclosed
EP-0194112-A1 3-Aryl-oxyazetidinecarboxamides having anti-muscle tension, anti-muscle spasticity, anticonvulsant and antiepilectic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1986-09-10 EP 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 (2 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-20250206718-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, EGFR, WEE2 OPRD1 3231/4885CYP2D6 363/4885CYP3A4 303/4885
US-20250368616-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR OPRD1 2895/4885CYP2D6 609/4885CYP3A4 570/4885

“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.