SCHEMBL28510099

SCHEMBL28510099

CC(C)(C)OC(=O)N1CCC(COc2cncc(Br)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC2A1 P11166 1/20 0.48
CHEK2 O96017 1/20 0.48
HDAC1 Q13547 1/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
FAAH O00519 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
SCHEMBL29960962 1.00 GPR119 (0.50) GPR119CHRNB2CHRNA4SLC2A1CHEK2
SCHEMBL7522800 0.94 IDO1 (0.50) GPR119CHRNB2CHRNA4SLC2A1CHEK2
SCHEMBL19418738 0.86 GPR119 (0.52) GPR119SLC2A1CHEK2HDAC1FAAH
SCHEMBL19418740 0.86 GPR119 (0.52) GPR119SLC2A1CHEK2HDAC1
SCHEMBL29913117 0.85 GPR119 (0.49) GPR119SLC2A1CHEK2
SCHEMBL27158797 0.85 GPR119 (0.49) GPR119SLC2A1CHEK2
SCHEMBL19420093 0.84 GPR119 (0.52) GPR119SLC2A1CHEK2HDAC1
SCHEMBL29576543 0.83 SLC2A1 (0.55) GPR119SLC2A1CHEK2HDAC1
SCHEMBL864389 0.83 SLC2A1 (0.55) GPR119SLC2A1CHEK2HDAC1
SCHEMBL4264039 0.83 GPR119 (0.51) GPR119CHEK2

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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 US disclosed
CN-112047928-B Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof 中国药科大学 2022-09-23 CN disclosed
CN-112047928-A Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 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 (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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP GPR119 1790/4885CHRNB2 2532/4885CHRNA4 2107/4885

“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.