SCHEMBL31301933

SCHEMBL31301933

CC(C)(C)OC(=O)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 6/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BTK Q06187 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL19901590 1.00 CYP1A2 (0.42) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL17715167 0.91 CHRNB2 (0.43) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL28400591 0.91 CHRNB2 (0.40) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL17715149 0.91 CHRNB2 (0.43) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL1460088 0.89 CYP1A2 (0.58) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL17715146 0.89 CYP1A2 (0.58) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL28877604 0.89 CYP2D6 (0.58) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL695946 0.81 DPP4 (0.41) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL21673908 0.81 DPP4 (0.41) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL12531141 0.81 MAPK1 (0.36) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
US-20250051375-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
WO-2024249517-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-12-05 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-20250051375-A1 ANTI-HIV COMPOUNDS CCR5, CD4, NFATC1 CYP1A2 2059/4885CYP2D6 1354/4885ALOX15 2174/4885

“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.