SCHEMBL30124167

SCHEMBL30124167

CC(C)(C)OC(=O)N[C@@H]1CN(c2cncc(Br)c2)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.41
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ OPRK1 P41145 7/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL29689724 0.85 ACACB (0.46) RETCHRNB4CHRNA3EIF2AK4RORC
SCHEMBL31638498 0.81 RET (0.43) RETOPRK1EIF2AK4OPRM1OPRD1
SCHEMBL29182738 0.80 SUV39H2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22499869 0.80 SUV39H2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29690023 0.80 SUV39H2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30124591 0.80 SUV39H2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29182735 0.80 SUV39H2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8510780 0.80 CKS1B (0.49) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL29749147 0.78 RET (0.53) RETOPRK1EIF2AK4
SCHEMBL2065859 0.74 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4

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-20250179059-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-06-05 — — US disclosed
US-12162870-B2 Anticancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 — — US disclosed
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 — — EP disclosed
US-20230025178-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-01-26 — — US disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 — — 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 (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-20250179059-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA RET 3219/4885CHRNB2 4847/4885CHRNB4 4856/4885
US-20230025178-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA RET 3219/4885CHRNB2 4847/4885CHRNB4 4856/4885
US-12162870-B2 Anticancer compounds BET1, BRD4, BICRA RET 3219/4885CHRNB2 4847/4885CHRNB4 4856/4885

“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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