SCHEMBL29912781

SCHEMBL29912781

CC(C)(C)OC(=O)N1C[C@@H]2C(COc3ccc(C(F)(F)F)cn3)[C@@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 10/20 0.48
GPR119 Q8TDV5 1/20 0.43
CHRNA7 P36544 2/20 0.43
JAK3 P52333 1/20 0.42
RORC P51449 1/20 0.42
BCHE P06276 1/20 0.42
GABRA5 P31644 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 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
SCHEMBL27158251 0.85 MRGPRX4 (0.47) LIPECHRNA7BCHEMRGPRX4HCRTR1
SCHEMBL27158248 0.85 MRGPRX4 (0.47) LIPECHRNA7BCHEMRGPRX4HCRTR1
SCHEMBL29913023 0.84 JAK3 (0.41) LIPEGPR119JAK3RORCHCRTR2
SCHEMBL21606867 0.83 LIPE (0.62) LIPEGPR119BCHE
SCHEMBL29913011 0.83 LIPE (0.62) LIPEGPR119BCHE
SCHEMBL31312638 0.82 LIPE (0.51) LIPEGPR119
SCHEMBL23706204 0.81 HCRTR1 (0.40) GPR119JAK3RORCHCRTR1
SCHEMBL23746711 0.81 HCRTR1 (0.40) GPR119JAK3RORCHCRTR1
SCHEMBL25328534 0.80 LIPE (0.48) LIPECHRNA7BCHEHCRTR1
SCHEMBL30553324 0.80 LIPE (0.48) LIPECHRNA7BCHEHCRTR1

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

“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.