SCHEMBL19410146

SCHEMBL19410146

CC(C)(C)OC(=O)Cc1cn(CC(N)C(=O)O)c2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GRIA1 P42261 5/20 0.33
▸ GRIA2 P42262 5/20 0.33
▸ GRIA4 P48058 5/20 0.33
▸ GRIK5 Q16478 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ GRIA3 P42263 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR6 P50406 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
SCHEMBL19410228 0.85 MTNR1A (0.33) ALDH1A1KDM4EMTNR1AMTNR1BL3MBTL1
SCHEMBL30711150 0.82 L3MBTL1 (0.50) SLC7A5ALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL19410221 0.82 L3MBTL1 (0.50) SLC7A5ALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL19410144 0.78 TPSAB1 (0.34) MTNR1AMTNR1BL3MBTL1MAPTHTR6
SCHEMBL30711160 0.74 KDM4E (0.41) ALDH1A1KDM4EBRD4HTR6
SCHEMBL12024535 0.70 L3MBTL1 (0.70) ALDH1A1KDM4EL3MBTL1BRD4MAPT
SCHEMBL22061745 0.70 MAPT (0.43) SLC7A5ALDH1A1KDM4EBRD4MAPT
SCHEMBL19420836 0.70 MAPT (0.43) SLC7A5ALDH1A1KDM4EBRD4MAPT
SCHEMBL31000678 0.70 MAPT (0.43) SLC7A5ALDH1A1KDM4EBRD4MAPT
SCHEMBL19410197 0.70 SLC16A3 (0.46) SLC7A5ALDH1A1KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440097-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2024-10-23 — — EP disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
EP-3440097-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2019-02-13 — — EP disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US 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 (2 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-20170283463-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 SLC7A5 3114/4885ALDH1A1 3723/4885KDM4E 2736/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 SLC7A5 3114/4885ALDH1A1 3723/4885KDM4E 2736/4885

“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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