SCHEMBL22964758

SCHEMBL22964758

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.43
OPRK1 P41145 1/20 0.43
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ADRA2B P18089 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CCR3 P51677 16/20 0.38
CYP2D6 P10635 15/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
CCR5 P51681 1/20 0.38
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL28578769 1.00 OGA (0.43) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28569974 0.95 OGA (0.37) OGAOPRK1CCR3CYP2D6LMNA
SCHEMBL21369465 0.95 OGA (0.37) OGAOPRK1CCR3CYP2D6LMNA
SCHEMBL21370313 0.91 OGA (0.53) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28568842 0.91 OGA (0.53) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL24862858 0.85 OGA (0.46) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21359303 0.85 OGA (0.46) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21370137 0.85 OGA (0.46) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL25626543 0.84 OGA (0.39) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21369469 0.81 OGA (0.40) OGAOPRK1SLC6A4SLC6A3ADRA2B

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
EP-4186899-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2023-05-31 EP 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

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 2094/4885SLC6A4 3350/4885
US-20210040080-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS MGAT3, ST6GAL1, ST3GAL3 OGA 32/4885OPRK1 2112/4885SLC6A4 3202/4885

“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.