SCHEMBL29912934

SCHEMBL29912934

CC(C)(C)OC(=O)N1C[C@@H]2C(COc3ccc(C(F)(F)F)nc3)[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.46
CHRNA7 P36544 3/20 0.43
LIPE Q05469 1/20 0.42
JAK3 P52333 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL27158271 0.85 CHRNB2 (0.46) CHRNA7LIPECHRNB2CHRNA4SCN9A
SCHEMBL27158705 0.85 CHRNB2 (0.46) CHRNA7LIPECHRNB2CHRNA4SCN9A
SCHEMBL27158707 0.85 CHRNB2 (0.46) CHRNA7LIPECHRNB2CHRNA4SCN9A
SCHEMBL25398801 0.84 JAK3 (0.43) GPR119JAK3CHRNB2CHRNA4
SCHEMBL29913093 0.84 JAK3 (0.41) GPR119LIPEJAK3
SCHEMBL27158533 0.83 GPR119 (0.58) GPR119
SCHEMBL30785455 0.83 GPR119 (0.58) GPR119
SCHEMBL29912773 0.80 IDH1 (0.44) GPR119LIPEJAK3
SCHEMBL29912927 0.80 JAK3 (0.39) GPR119LIPEJAK3CHRNB2
SCHEMBL30328612 0.79 GPR119 (0.58) GPR119

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 3 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
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 GPR119 101/4885CHRNA7 1356/4885LIPE 250/4885

“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.