SCHEMBL17485425

SCHEMBL17485425

CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ SENP8 Q96LD8 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ SENP6 Q9GZR1 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL22650959 0.91 NPC1 (0.36) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL23084630 0.89 NPC1 (0.35) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL24496166 0.89 KCNH2 (0.36) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL22651406 0.88 ELANE (0.38) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL22651234 0.86 RAB9A (0.38) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL24604432 0.86 NPC1 (0.35) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL23698605 0.85 HTT (0.35) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL23061476 0.85 HTT (0.37) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL24604442 0.84 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL13996752 0.84 NPC1 (0.37) RAB9ANPC1SMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 — — US disclosed
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 — — US disclosed
US-20220213099-A1 PRODRUG COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 — — US disclosed
US-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-09-09 — — US disclosed
WO-2020227337-A1 PRODRUG COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-12 — — WO disclosed
WO-2016016766-A2 A PROCESS FOR THE PREPARATION OF ISAVUCONAZONIUM OR ITS SALT THEREOF WOCKHARDT LIMITED (IN) 2016-02-04 — — 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 (3 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 RAB9A 776/4885NPC1 2879/4885SMN1; SMN2 4232/4885
US-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP ERG28, PDXK, PAH RAB9A 1999/4885NPC1 1336/4885SMN1; SMN2 3484/4885
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group ERG28, PDXK, PAH RAB9A 1999/4885NPC1 1336/4885SMN1; SMN2 3484/4885

“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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