SCHEMBL18459333

SCHEMBL18459333

C[C@H](NC(=O)C(F)(F)F)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ACACB O00763 9/20 0.47
▸ PLA2G7 Q13093 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ ABHD6 Q9BV23 1/20 0.47
▸ VEGFA P15692 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FAAH O00519 1/20 0.43
▸ PTGER4 P35408 1/20 0.41

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
SCHEMBL18459334 1.00 RAB9A (0.47) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL21399862 0.84 MAPT (0.48) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL21378605 0.84 MAPT (0.53) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL21378603 0.84 MAPT (0.53) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL21378470 0.83 ACACB (0.52) RAB9AALDH1A1HTTACACBPOLB
SCHEMBL21378468 0.83 ACACB (0.52) RAB9AALDH1A1HTTACACBPOLB
SCHEMBL19700726 0.83 MAPT (0.45) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL19700725 0.83 MAPT (0.45) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL21378569 0.83 MAPT (0.45) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL20289586 0.83 MAPT (0.45) RAB9AALDH1A1HTTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311863-B Mutant IDH1 inhibitors 伊莱利利公司 2021-10-29 — — CN disclosed
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP disclosed
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 — — US disclosed
CN-107849059-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds and their use as inhibitors of mutant IDH1 伊莱利利公司 2020-04-28 — — CN disclosed
EP-3328866-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2019-10-30 — — EP disclosed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 — — US disclosed
US-10253041-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds and their use as mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2019-04-09 — — US disclosed
US-20180118759-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIR USE AS MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2018-05-03 — — US disclosed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 — — WO disclosed
WO-2017019429-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-02-02 — — 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 (4 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-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A RAB9A 2114/4885ALDH1A1 260/4885HTT 1352/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A RAB9A 2114/4885ALDH1A1 260/4885HTT 1352/4885
US-10253041-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds and their use as mutant IDH1 inhibitors IDH1, IDH3A, IDH3B RAB9A 3500/4885ALDH1A1 17/4885HTT 724/4885
US-20180118759-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIR USE AS MUTANT IDH1 INHIBITORS IDH1, IDH3A, IDH3B RAB9A 3500/4885ALDH1A1 17/4885HTT 724/4885

“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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