SCHEMBL29912927

SCHEMBL29912927

CC(C)(C)OC(=O)N1C[C@@H]2C(COc3cncc(C(F)(F)F)c3)[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.39
TACR1 P25103 2/20 0.39
GPR119 Q8TDV5 3/20 0.39
LIPE Q05469 1/20 0.38
CHRNB1 P11230 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB3 Q05901 2/20 0.37
STS P08842 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL27158611 0.85 CHRNB2 (0.38) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL27158608 0.85 CHRNB2 (0.38) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL27158797 0.83 GPR119 (0.49) GPR119STS
SCHEMBL29913117 0.83 GPR119 (0.49) GPR119STS
SCHEMBL23746711 0.82 HCRTR1 (0.40) JAK3TACR1GPR119STSRORC
SCHEMBL23706204 0.82 HCRTR1 (0.40) JAK3TACR1GPR119STSRORC
SCHEMBL23746869 0.81 GPBAR1 (0.40) JAK3TACR1GPR119LIPERORC
SCHEMBL29912781 0.80 LIPE (0.48) JAK3GPR119LIPERORC
SCHEMBL29912934 0.80 GPR119 (0.46) JAK3GPR119LIPECHRNB2
SCHEMBL30328775 0.79 GPR119 (0.48) TACR1GPR119

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 JAK3 4078/4885TACR1 4362/4885GPR119 101/4885

“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.