SCHEMBL22651406

SCHEMBL22651406

CNCC(=O)OCc1cccnc1N(C)C(=O)OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ HTT P42858 6/20 0.32
▸ L3MBTL1 Q9Y468 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL24604432 0.92 NPC1 (0.35) ELANENPC1RAB9ASMN1; SMN2HTT
SCHEMBL17485425 0.88 RAB9A (0.39) NPC1RAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL22651234 0.88 RAB9A (0.38) NPC1RAB9ASMN1; SMN2MAPK1HTT
SCHEMBL24496166 0.88 KCNH2 (0.36) NPC1RAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL23698605 0.87 HTT (0.35) NPC1RAB9ASMN1; SMN2GAAHTT
SCHEMBL22650959 0.86 NPC1 (0.36) NPC1RAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL24604442 0.86 RAB9A (0.36) NPC1RAB9ASMN1; SMN2GAAHTT
SCHEMBL23084629 0.85 CHRM2 (0.34) NPC1RAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL23084630 0.84 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL23061476 0.84 HTT (0.37) NPC1RAB9ASMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213099-A1 PRODRUG COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 — — US disclosed
WO-2020227337-A1 PRODRUG COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-12 — — 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-20220213099-A1 PRODRUG COMPOUNDS TLR7, TLR4, TLR9 ELANE 1970/4885NPC1 2879/4885RAB9A 776/4885

“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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