SCHEMBL9318646

SCHEMBL9318646

COC(=O)c1cc(C(=O)OC)c(C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.49
▸ GABRA1 P14867 3/20 0.48
▸ GABRG2 P18507 3/20 0.48
▸ GABRB3 P28472 3/20 0.48
▸ GABRA5 P31644 3/20 0.48
▸ GABRA3 P34903 3/20 0.48
▸ GABRP O00591 2/20 0.48
▸ GABRD O14764 2/20 0.48
▸ GABRB1 P18505 2/20 0.48
▸ GABRA2 P47869 2/20 0.48
▸ GABRB2 P47870 2/20 0.48
▸ GABRA4 P48169 2/20 0.48
▸ GABRE P78334 2/20 0.48
▸ GABRA6 Q16445 2/20 0.48
▸ GABRG1 Q8N1C3 2/20 0.48
▸ GABRG3 Q99928 2/20 0.48
▸ GABRQ Q9UN88 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ PDE5A O76074 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL18825226 0.86 MAPK1 (0.53) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10467645 0.85 MAPK1 (0.52) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9641326 0.83 ATM (0.42) MAPK1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL17490653 0.83 KDM4E (0.44) MAPK1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL23714349 0.80 MAPK1 (0.47) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9318957 0.80 KDM4E (0.47) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21713467 0.80 L3MBTL1 (0.40) MAPK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL22978646 0.80 MAPK1 (0.47) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL17029063 0.80 GABRP (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12488360 0.80 MAPK1 (0.51) MAPK1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281943-B1 Substituted pyridine-2,4-carboxylic acid derivatives, process for their preparation, their use as well as medicaments based on these compounds HOECHST AG (DE) 1994-01-12 — — EP claimed
US-12492187-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-12-09 — — US disclosed
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 — — US disclosed
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 — — US disclosed
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 — — US disclosed
EP-4125892-A1 FACTOR XI ACTIVATION INHIBITORS Merck Sharp & Dohme LLC (US) 2023-02-08 — — EP disclosed
WO-2021202254-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-07 — — WO disclosed
WO-2021202254-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-07 — — 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 (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-12492187-B2 Factor XI activation inhibitors F11, TFPI, F13B MAPK1 1441/4885GABRA1 3338/4885GABRG2 3119/4885
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS F11, TFPI, F13B MAPK1 1441/4885GABRA1 3338/4885GABRG2 3119/4885

“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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