SCHEMBL4770561

SCHEMBL4770561

CC(C)(C)OC(=O)N[C@@H](CCN1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 5/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ACE P12821 1/20 0.44
ATM Q13315 1/20 0.43
KLK5 Q9Y337 1/20 0.43
PTGER4 P35408 2/20 0.43
F2 P00734 1/20 0.42
DPP4 P27487 1/20 0.42
POLB P06746 1/20 0.42
CMA1 P23946 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14102471 0.86 KLK5 (0.54) ALDH1A1SMN1; SMN2ACEKLK5DPP4
SCHEMBL4663297 0.81 DPP4 (0.52) SCN9ACTSSCTSKDPP4
SCHEMBL8272580 0.81 DPP4 (0.62) ALDH1A1SMN1; SMN2ATMPTGER4F2
SCHEMBL4663388 0.80 DPP4 (0.67) SCN9ACTSSCTSKDPP4
SCHEMBL8505388 0.79 CTSK (0.47) ALDH1A1SCN9ACTSSCTSKATM
SCHEMBL4921729 0.79 CTSK (0.47) ALDH1A1SCN9ACTSSCTSKATM
SCHEMBL6444465 0.78 SCN9A (0.44) SCN9ACTSSCTSKDPP4
SCHEMBL6444466 0.78 DPP4 (0.48) SCN9ACTSSCTSKDPP4
SCHEMBL6298469 0.77 TDP1 (0.56) SCN9ACTSSCTSKATMKLK5
SCHEMBL8294401 0.77 TDP1 (0.56) SCN9ACTSSCTSKATMKLK5

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
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US 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
EP-1604662-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 (Deutschland) Aktiengesellschaft (DE) 2005-12-14 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 (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 ALDH1A1 382/4885SMN1; SMN2 4552/4885SCN9A 110/4885

“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.