SCHEMBL21378569

SCHEMBL21378569

CCC(c1ccc(C(C)NC(=O)C(F)(F)F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ACACB O00763 3/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GPR119 Q8TDV5 4/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ GLS O94925 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL20289586 1.00 MAPT (0.45) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL19700725 1.00 MAPT (0.45) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL20289632 0.91 MAPT (0.44) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL20289697 0.88 ALDH1A1 (0.47) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL22186807 0.88 ALDH1A1 (0.47) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL20289382 0.88 MAPT (0.42) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL19700717 0.88 ALDH1A1 (0.47) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL28779159 0.88 MAPT (0.42) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL21399862 0.87 MAPT (0.48) MAPTMAPK1NPC1ALDH1A1HTT
SCHEMBL31452023 0.86 MAPT (0.41) MAPTMAPK1NPC1ALDH1A1HTT

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
CN-115109075-A Mutant IDH1 and IDH2 inhibitors 伊莱利利公司 2022-09-27 — — CN disclosed
CN-110072867-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds as inhibitors of mutant IDH1 and IDH2 伊莱利利公司 2022-07-08 — — CN disclosed
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
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 — — 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-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A MAPT 3706/4885MAPK1 2406/4885NPC1 1905/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A MAPT 3706/4885MAPK1 2406/4885NPC1 1905/4885

“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.

Send feedback