SCHEMBL21399862

SCHEMBL21399862

CC(c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ACACB O00763 2/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBK1 Q9UHD2 10/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL21378603 0.87 MAPT (0.53) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL21378605 0.87 MAPT (0.53) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL21378569 0.87 MAPT (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL20289586 0.87 MAPT (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL19700726 0.87 MAPT (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL19700725 0.87 MAPT (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL20289632 0.86 MAPT (0.44) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL18459333 0.84 RAB9A (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL18459334 0.84 RAB9A (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL20289382 0.83 MAPT (0.42) MAPTNPC1ALDH1A1MAPK1HTT

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-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 3706/4885NPC1 1905/4885ALDH1A1 260/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A MAPT 3706/4885NPC1 1905/4885ALDH1A1 260/4885

“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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