SCHEMBL24958697

SCHEMBL24958697

CC(C)c1ccc(-c2cn(C3CCOCC3)nn2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 3/20 0.38
LGALS1 P09382 2/20 0.38
MET P08581 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
KCNJ5 P48544 1/20 0.37
DPP4 P27487 1/20 0.36
CHRNB2 P17787 6/20 0.36
CHRNB4 P30926 6/20 0.36
CHRNA3 P32297 6/20 0.36
CHRNA7 P36544 6/20 0.36
CHRNA4 P43681 6/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL24958866 0.93 BRD4 (0.40) LGALS3LGALS1METIRAK4DPP4
SCHEMBL24958864 0.93 BRD4 (0.40) LGALS3LGALS1METIRAK4DPP4
SCHEMBL24958717 0.93 CHRNB2 (0.39) LGALS3LGALS1METDPP4CHRNB2
SCHEMBL24958695 0.89 DPP4 (0.37) LGALS3LGALS1METIRAK4DPP4
SCHEMBL24958698 0.85 CHRNB2 (0.38) LGALS3LGALS1METIRAK4DPP4
SCHEMBL29848152 0.81 LGALS3 (0.51) LGALS3LGALS1
SCHEMBL24956536 0.80 MET (0.49) METIRAK4
SCHEMBL24958696 0.76 SOST (0.43) LGALS3LGALS1METIRAK4DPP4
SCHEMBL17806601 0.75 GSK3B (0.41) DPP4
SCHEMBL25406857 0.71 AKR1A1 (0.36) LGALS3LGALS1IRAK4KCNJ5CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US 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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 LGALS3 548/4885LGALS1 497/4885MET 785/4885

“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.