SCHEMBL27245225

SCHEMBL27245225

NC(=O)[C@@H]1C[C@]2(CN1)Oc1ccccc1CNC2=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL30890473 1.00 GAA (0.33) GAANPSR1AURKABACE1ALDH1A1
Trifluoroacetic Acid SCHEMBL27244936 0.92 KDM1A (0.32) —
SCHEMBL27245180 0.89 GAA (0.35) GAANPSR1BACE1ALDH1A1AKR1C3
SCHEMBL30890427 0.85 BACE1 (0.48) GAANPSR1BACE1ALDH1A1
SCHEMBL27245043 0.82 BACE1 (0.39) GAABACE1ALDH1A1ATM
SCHEMBL27244746 0.82 NPC1 (0.35) —
Hydrochloric Acid SCHEMBL27245163 0.81 BACE1 (0.39) BACE1ALDH1A1
SCHEMBL30890499 0.75 BACE1 (0.47) AURKABACE1
SCHEMBL27244719 0.75 BACE1 (0.47) AURKABACE1
SCHEMBL27244855 0.74 PTK2B (0.32) GAANPSR1ALDH1A1AKR1C3AKR1C2

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-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 — — 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-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 GAA 37/4885NPSR1 3523/4885AURKA 4391/4885

“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