SCHEMBL31320104

SCHEMBL31320104

CC[C@H]1C[C@@H](c2nncn2C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE8B O95263 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ THRB P10828 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL31380056 1.00 EPHX2 (0.39) EPHX2ALDH1A1PDE8BATMPARP1
SCHEMBL31320106 1.00 EPHX2 (0.39) EPHX2ALDH1A1PDE8BATMPARP1
Hydrochloric Acid SCHEMBL31320089 0.90 PARP1 (0.34) EPHX2ALDH1A1PDE8BATMPARP1
SCHEMBL22712403 0.79 THRB (0.50) EPHX2JAK2JAK1TYK2JAK3
SCHEMBL24826722 0.74 KDM4E (0.41) EPHX2ATMJAK2JAK1TYK2
SCHEMBL30683434 0.74 THRB (0.47) EPHX2JAK2JAK1TYK2JAK3
SCHEMBL18788539 0.73 THRB (0.45) EPHX2PARP1JAK2JAK1TYK2
SCHEMBL29206642 0.73 PIK3CD (0.36) EPHX2ALDH1A1JAK2JAK1TYK2
SCHEMBL30164891 0.73 PIK3CD (0.36) EPHX2ALDH1A1JAK2JAK1TYK2
SCHEMBL31380068 0.72 EPHX2 (0.37) EPHX2JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066329-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-27 — — US disclosed
WO-2025036713-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-20 — — 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-20250066329-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GLUL EPHX2 4746/4885ALDH1A1 3857/4885PDE8B 4021/4885

“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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