SCHEMBL29730095

SCHEMBL29730095

CCCc1ccc(C23CC(NC(=O)OC(C)(C)C)(C2)C3)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ DPP8 Q6V1X1 2/20 0.34
▸ DPP9 Q86TI2 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL24543134 1.00 MAPKAPK2 (0.36) MAPKAPK2SMN1; SMN2NPC1TP53RAB9A
SCHEMBL29730079 0.88 DPP8 (0.35) MAPKAPK2NR1H4DPP8DPP9IDO1
SCHEMBL29730100 0.86 RET (0.35) NPC1RAB9ANR1H4DPP8DPP9
SCHEMBL27202119 0.83 SMN1; SMN2 (0.42) SMN1; SMN2NPC1TP53RAB9AL3MBTL1
SCHEMBL27202124 0.83 NAMPT (0.35) DPP8DPP9IDO1NAMPTL3MBTL1
SCHEMBL29730163 0.81 DPP8 (0.35) MAPKAPK2SMN1; SMN2NPC1RAB9ANR1H4
SCHEMBL24543133 0.81 DPP8 (0.35) MAPKAPK2SMN1; SMN2NPC1RAB9ANR1H4
SCHEMBL29730116 0.80 DPP8 (0.34) MAPKAPK2SMN1; SMN2NPC1RAB9ANR1H4
SCHEMBL29730109 0.79 MAPK1 (0.43) NPC1RAB9ADPP8DPP9IDO1
SCHEMBL27202134 0.79 MAPK1 (0.43) NPC1RAB9ADPP8DPP9IDO1

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 MAPKAPK2 2071/4885SMN1; SMN2 2024/4885NPC1 778/4885

“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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