SCHEMBL22355307

SCHEMBL22355307

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCC2(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
PDE4B Q07343 2/20 0.40
GPR119 Q8TDV5 3/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
F12 P00748 4/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL22355302 0.91 GPR119 (0.41) EPHX1GPR119EPHX2HPGDF12
SCHEMBL3983381 0.79 EPHX1 (0.41) EPHX1PDE4BGPR119HPGDALDH1A1
SCHEMBL14964702 0.77 PDE4B (0.49) EPHX1PDE4BGPR119SMN1; SMN2HPGD
SCHEMBL20166149 0.77 F12 (0.61) F12
SCHEMBL20166147 0.77 F12 (0.61) F12
SCHEMBL8221976 0.76 PDE4B (0.48) EPHX1PDE4BGPR119SMN1; SMN2HPGD
SCHEMBL13390607 0.76 PDE4B (0.48) EPHX1PDE4BGPR119SMN1; SMN2HPGD
SCHEMBL1445046 0.76 PDE4B (0.48) EPHX1PDE4BGPR119SMN1; SMN2HPGD
SCHEMBL30453781 0.76 PDE4B (0.48) EPHX1PDE4BGPR119SMN1; SMN2HPGD
SCHEMBL13390675 0.76 PDE4B (0.48) EPHX1PDE4BGPR119SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541381-B1 INHIBITORS OF FACTOR XIIA MERCK SHARP & DOHME LLC (US) 2022-12-28 EP disclosed
US-11014920-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-25 US disclosed
US-20200262831-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2020-08-20 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 (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-11014920-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 EPHX1 208/4885PDE4B 912/4885GPR119 3130/4885
US-20200262831-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 EPHX1 208/4885PDE4B 912/4885GPR119 3130/4885

“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.