SCHEMBL27158239

SCHEMBL27158239

CC(C)(C)OC(=O)N1CCCC(COc2cccnc2Cl)C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
SCN9A Q15858 1/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
ALOX5AP P20292 3/20 0.49
FEN1 P39748 3/20 0.49
HTR6 P50406 6/20 0.47
BCHE P06276 4/20 0.47
CHEK2 O96017 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
DPP4 P27487 1/20 0.45
ACKR3 P25106 1/20 0.45
HPGDS O60760 1/20 0.44

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
SCHEMBL30785411 1.00 POLB (0.52) POLBSCN9AFNTAFNTBALOX5AP
SCHEMBL3330431 0.88 SCN9A (0.51) SCN9AFNTAFNTBALOX5APFEN1
SCHEMBL3330436 0.88 SCN9A (0.51) SCN9AFNTAFNTBALOX5APFEN1
SCHEMBL5665998 0.88 HTR6 (0.51) POLBSCN9AFNTAFNTBALOX5AP
SCHEMBL4509555 0.86 SCN9A (0.54) POLBSCN9AALOX5APFEN1HTR6
SCHEMBL30785481 0.86 RBP4 (0.53) SCN9AFNTAFNTBALOX5APFEN1
SCHEMBL30785499 0.86 RBP4 (0.53) SCN9AFNTAFNTBALOX5APFEN1
SCHEMBL27157998 0.86 RBP4 (0.53) SCN9AFNTAFNTBALOX5APFEN1
SCHEMBL29202348 0.86 RBP4 (0.53) SCN9AFNTAFNTBALOX5APFEN1
SCHEMBL27158517 0.85 SCN9A (0.51) SCN9AFNTAFNTBALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 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 (1 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-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 POLB 1549/4885SCN9A 1378/4885FNTA 1148/4885

“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.