SCHEMBL24170998

SCHEMBL24170998

C[C@H](N)c1ccc(C(CC2CC2)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SCD5 Q86SK9 1/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ RORC P51449 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ ACACB O00763 2/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL24171006 0.95 GPR119 (0.42) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL24170982 0.94 NPC1 (0.39) GPR119CYP11B2NPC1ALDH1A1MAPT
SCHEMBL25538861 0.92 NPC1 (0.40) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL24170991 0.91 NPC1 (0.40) GPR119CYP11B2NPC1ALDH1A1MAPT
SCHEMBL19700997 0.85 ALDH1A1 (0.49) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL20289589 0.85 ALDH1A1 (0.49) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL20270574 0.85 ALDH1A1 (0.49) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL21799052 0.85 ALDH1A1 (0.49) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL25543359 0.83 NPC1 (0.45) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL25538904 0.82 NPC1 (0.36) GPR119CYP11B2NPC1ALDH1A1MAPT

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
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 — — US disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 — — US disclosed
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-2022262784-A1 IDH MUTANT INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2022-12-22 — — WO 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

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-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B GPR119 1449/4885CYP11B2 766/4885NPC1 2367/4885
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B GPR119 1688/4885CYP11B2 1038/4885NPC1 3118/4885

“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