SCHEMBL24699088

SCHEMBL24699088

COc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
SLC18A3 Q16572 4/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL29138572 1.00 KDM4E (0.47) KDM4ESLC18A3SIGMAR1ALDH1A1GPR119
SCHEMBL29914114 1.00 KDM4E (0.47) KDM4ESLC18A3SIGMAR1ALDH1A1GPR119
SCHEMBL31096201 0.81 KCNK3 (0.48) GPR119HSD11B1
SCHEMBL18418205 0.80 KCNK3 (0.48) GPR119HSD11B1
SCHEMBL3538916 0.80 KCNK3 (0.52) GPR119KMT2AHSD11B1OPRM1
SCHEMBL22569544 0.80 KCNK3 (0.52) GPR119KMT2AHSD11B1OPRM1
SCHEMBL23053901 0.80 KCNK3 (0.52) GPR119KMT2AHSD11B1OPRM1
SCHEMBL19549750 0.79 SLC18A3 (0.50) KDM4ESLC18A3SIGMAR1ALDH1A1MEN1
SCHEMBL19549747 0.79 SLC18A3 (0.50) KDM4ESLC18A3SIGMAR1ALDH1A1MEN1
SCHEMBL19549748 0.79 SLC18A3 (0.50) KDM4ESLC18A3SIGMAR1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305037-B1 KRAS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-02-26 EP disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 US disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 US disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 US disclosed
EP-4305037-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP disclosed
CN-117177976-A KRAS inhibitors 百时美施贵宝公司 2023-12-05 CN disclosed
WO-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO disclosed
WO-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 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 (1 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-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS KDM4E 2597/4885SLC18A3 4788/4885SIGMAR1 4423/4885

“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.