SCHEMBL29168680

SCHEMBL29168680

CN(C)C(=O)c1cc2c(c(N[C@@H]3CCOC3)c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ GPR119 Q8TDV5 4/20 0.36
▸ MTOR P42345 2/20 0.35
▸ USP30 Q70CQ3 3/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL30789219 1.00 ESR2 (0.39) ESR2NR1H2GPR119MTORUSP30
SCHEMBL24913899 0.88 ESR2 (0.39) ESR2NR1H2MTORUSP30L3MBTL1
SCHEMBL29168617 0.87 PRMT5 (0.34) —
SCHEMBL31013883 0.86 ESR2 (0.49) ESR2NR1H2MTORIGF1RALDH1A1
SCHEMBL30156900 0.85 GPR119 (0.38) ESR2NR1H2GPR119MTORALDH1A1
SCHEMBL24913887 0.85 GPR119 (0.38) ESR2NR1H2GPR119MTORALDH1A1
SCHEMBL31013866 0.85 ALDH1A1 (0.43) ESR2NR1H2ALDH1A1CCR2MAPT
SCHEMBL31014038 0.83 GPR119 (0.38) ESR2NR1H2GPR119MTORALDH1A1
SCHEMBL24913918 0.83 GPR119 (0.38) ESR2NR1H2GPR119MTORALDH1A1
SCHEMBL30156745 0.83 GPR119 (0.38) ESR2NR1H2GPR119MTORALDH1A1

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-20240293392-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-09-05 — — US disclosed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 — — CN disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 — — 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-20240293392-A1 INHIBITOR COMPOUNDS MSH2, PMS2, MSH6 ESR2 568/4885NR1H2 2027/4885GPR119 2087/4885

“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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