Sugi Predict

Sugi Predict / Compounds / SCHEMBL21399850

SCHEMBL21399850

SCHEMBL21399850

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CHRM2 P08172 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP3A5 P20815 1/20 0.42
▸ GLS O94925 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL25538815 0.87 ALDH1A1 (0.49) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL3837657 0.86 HTT (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL28327837 0.86 ALDH1A1 (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL660699 0.86 HTT (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL26199223 0.86 ALDH1A1 (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL3837654 0.86 HTT (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL8115616 0.86 CYP2D6 (0.57) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL3805489 0.86 CYP2D6 (0.57) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL28637939 0.85 ALDH1A1 (0.47) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL30274613 0.85 ALDH1A1 (0.47) ALDH1A1HTTMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — US disclosed
WO-2022001916-A1 IDH MUTANT INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2022-01-06 — — WO 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 (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-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A ALDH1A1 260/4885HTT 1352/4885MAPT 3706/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A ALDH1A1 260/4885HTT 1352/4885MAPT 3706/4885
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B ALDH1A1 123/4885HTT 267/4885MAPT 2754/4885

“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.