SCHEMBL29730100

SCHEMBL29730100

COCc1ccc(C23CC(NC(=O)OC(C)(C)C)(C2)C3)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.35
▸ DPP8 Q6V1X1 3/20 0.34
▸ DPP9 Q86TI2 3/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ PTPRB P23467 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ PPIA P62937 2/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL29730079 0.88 DPP8 (0.35) DPP8DPP9IDO1NAMPTL3MBTL1
SCHEMBL27202124 0.87 NAMPT (0.35) DPP8DPP9IDO1NAMPTL3MBTL1
SCHEMBL29730095 0.86 MAPKAPK2 (0.36) DPP8DPP9IDO1NAMPTNPC1
SCHEMBL24543134 0.86 MAPKAPK2 (0.36) DPP8DPP9IDO1NAMPTNPC1
SCHEMBL27202115 0.84 ALDH1A1 (0.34) RETNPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL27202134 0.81 MAPK1 (0.43) DPP8DPP9IDO1NPC1ALDH1A1
SCHEMBL24543133 0.81 DPP8 (0.35) DPP8DPP9IDO1NPC1RAB9A
SCHEMBL29730163 0.81 DPP8 (0.35) DPP8DPP9IDO1NPC1RAB9A
SCHEMBL29730109 0.81 MAPK1 (0.43) DPP8DPP9IDO1NPC1ALDH1A1
SCHEMBL29730116 0.80 DPP8 (0.34) DPP8DPP9IDO1NPC1RAB9A

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-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. 2024-04-25 — — US disclosed
EP-4263492-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2023-10-25 — — EP disclosed
WO-2022129933-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Pandeia Therapeutics Limited (GB) 2022-06-23 — — 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-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR65, GPR68 RET 191/4885DPP8 3002/4885DPP9 4099/4885

“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.

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