SCHEMBL29741950

SCHEMBL29741950

C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
NNMT P40261 1/20 0.46
PDE4B Q07343 1/20 0.43
HDAC1 Q13547 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
SCHEMBL14912258 1.00 SMN1; SMN2 (0.46) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL14912501 1.00 SMN1; SMN2 (0.46) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL29741965 1.00 SMN1; SMN2 (0.46) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL14914895 0.81 VNN1 (0.52) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL14912871 0.81 VNN1 (0.52) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL14912873 0.81 VNN1 (0.52) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL29741866 0.81 VNN1 (0.52) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL17055174 0.80 PRMT5 (0.46) SMN1; SMN2PDE4BPRMT5MAPT
SCHEMBL17560250 0.75 PRMT5 (0.46) SMN1; SMN2PRMT5
SCHEMBL21245555 0.74 NPC1 (0.60) SMN1; SMN2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP 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 (2 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 SMN1; SMN2 3549/4885GABRP 2120/4885GABRD 1883/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 SMN1; SMN2 3549/4885GABRP 2120/4885GABRD 1883/4885

“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.