SCHEMBL24958737

SCHEMBL24958737

CC[C@H](C)c1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD11B1 P28845 4/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P4HTM Q9NXG6 1/20 0.35

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
SCHEMBL23561173 1.00 ALDH1A1 (0.42) ALDH1A1TSHRRAB9AKMT2AHSD11B1
SCHEMBL12089852 0.83 HSD11B1 (0.41) ALDH1A1RAB9AHSD11B1NPC1PIK3CD
SCHEMBL14827254 0.82 P4HTM (0.51) ALDH1A1TSHRRAB9AKMT2ANPC1
SCHEMBL2677914 0.81 ALDH1A1 (0.44) ALDH1A1TSHRRAB9AKMT2ANPC1
SCHEMBL6651599 0.79 PIK3CD (0.41) RAB9AHSD11B1NPC1PIK3CDPIK3CA
SCHEMBL24920071 0.78 MAPK1 (0.54) ALDH1A1TSHRRAB9AKMT2ANPC1
SCHEMBL9034066 0.78 RAB9A (0.43) ALDH1A1TSHRRAB9AKMT2ANPC1
SCHEMBL13144180 0.75 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AKMT2ANPC1
SCHEMBL10272733 0.73 MAPT (0.46) ALDH1A1TSHRRAB9AKMT2ANPC1
SCHEMBL10258367 0.73 HSP90AA1 (0.51) ALDH1A1TSHRRAB9AKMT2ANPC1

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 ALDH1A1 3556/4885TSHR 120/4885RAB9A 478/4885

“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.