SCHEMBL4663327

SCHEMBL4663327

CC(C)(C)OC(=O)N1CCOCC1CNS(=O)(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ATM Q13315 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ IL1B P01584 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ TGFBR1 P36897 1/20 0.37
▸ RORC P51449 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL19784980 0.86 SMN1; SMN2 (0.40) SMN1; SMN2USP2ATMRECQLIL1B
SCHEMBL4955652 0.83 DPP4 (0.44) SMN1; SMN2ATMALDH1A1KDM1A
SCHEMBL8290278 0.83 DPP4 (0.44) SMN1; SMN2ATMALDH1A1KDM1A
SCHEMBL8272551 0.82 MEN1 (0.34) ALDH1A1
SCHEMBL1598306 0.81 SMN1; SMN2 (0.45) SMN1; SMN2USP2ATMRECQLIL1B
SCHEMBL553866 0.79 SMN1; SMN2 (0.43) SMN1; SMN2USP2ATMRECQLIL1B
SCHEMBL553865 0.79 SMN1; SMN2 (0.43) SMN1; SMN2USP2ATMRECQLIL1B
SCHEMBL307099 0.77 PDK1 (0.49) SMN1; SMN2USP2ATMRECQLIL1B
SCHEMBL20371626 0.77 USP2 (0.49) SMN1; SMN2USP2ATMRECQLIL1B
SCHEMBL14417217 0.77 USP2 (0.49) SMN1; SMN2USP2ATMRECQLIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 — — US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 — — US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 — — US disclosed
CN-101005835-A 1-[(3r)-amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2r)-carboxylic acid-benzyl amine derivatives and related compounds as dipeptidyl-peptidase iv (dpp-iv) inhibitors for the treatment of type 2 diab SANTHERA PHARMACEUTICALS CH (CH) 2007-07-25 — — CN disclosed
EP-1791536-A1 1-[(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL]-PYRROLIDINE-(2R)-CARBOXYLIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-06-06 — — EP disclosed
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 — — 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-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 SMN1; SMN2 4552/4885USP2 1466/4885ATM 4683/4885

“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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