SCHEMBL21370313

SCHEMBL21370313

CC(=O)Nc1nc(F)c(CN2CCC[C@H](Cc3ncc(F)cn3)C2)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 10/20 0.53
OPRK1 P41145 1/20 0.53
ADRA2B P18089 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CCR3 P51677 8/20 0.40
CYP2D6 P10635 7/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL28568842 1.00 OGA (0.53) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL24862858 0.94 OGA (0.46) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21370137 0.94 OGA (0.46) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21359303 0.94 OGA (0.46) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL22964758 0.91 OGA (0.43) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL28578769 0.91 OGA (0.43) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL28569974 0.85 OGA (0.37) OGAOPRK1CCR3CYP2D6
SCHEMBL21369465 0.85 OGA (0.37) OGAOPRK1CCR3CYP2D6
SCHEMBL21359511 0.85 OGA (0.42) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL25626543 0.85 OGA (0.39) OGAOPRK1ADRA2BSLC6A4SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218863-B O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 比奥根MA公司 2024-07-12 CN claimed
CN-118955490-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 渤健马萨诸塞州股份有限公司 2024-11-15 CN disclosed
CN-112218863-B O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 比奥根MA公司 2024-07-12 CN disclosed
US-20230117898-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2023-04-20 US disclosed
EP-3765458-B1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC (US) 2023-01-11 EP disclosed
US-20210040080-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2021-02-11 US disclosed
CN-112218863-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranosidase inhibitors 比奥根MA公司 2021-01-12 CN disclosed
WO-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 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 (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-20230117898-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS MGAT3, ST3GAL3, ST6GAL1 OGA 26/4885OPRK1 2094/4885ADRA2B 817/4885
US-20210040080-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS MGAT3, ST6GAL1, ST3GAL3 OGA 32/4885OPRK1 2112/4885ADRA2B 605/4885

“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.