SCHEMBL31486571

SCHEMBL31486571

COC(=O)C[C@](C)(NC(=O)OC(C)(C)C)c1cccc(I)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.32
DRD2 P14416 3/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 2/20 0.32
AKT1 P31749 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
SYK P43405 1/20 0.32
ATR Q13535 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL25387205 0.89 AKT1 (0.35) AAK1DRD2POLBLMNAAKT1
SCHEMBL25387208 0.89 AKT1 (0.35) AAK1DRD2POLBLMNAAKT1
SCHEMBL31486781 0.86 DRD2 (0.32) AAK1DRD2POLBMAPK1ATM
SCHEMBL31486685 0.80 CTSL (0.38) LMNAHPGD
SCHEMBL31486837 0.78 NPC1 (0.49) AAK1POLBLMNASYK
SCHEMBL31486754 0.78 SMN1; SMN2 (0.36) AAK1POLB
SCHEMBL18683051 0.78 LMNA (0.40) AAK1DRD2POLBLMNAAKT1
SCHEMBL21677304 0.78 LMNA (0.40) AAK1DRD2POLBLMNAAKT1
Hydrochloric Acid SCHEMBL31486872 0.76 SMN1; SMN2 (0.33) POLBHPGD
SCHEMBL25387434 0.75 DRD2 (0.35) DRD2POLBLMNAAKT1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250134890-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2025-05-01 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 (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-20250134890-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES G6PD, DPYD, DHFR AAK1 2882/4885DRD2 2545/4885POLB 772/4885

“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.