SCHEMBL6442733

SCHEMBL6442733

N[C@@H](CCN1CCC[C@H]1COc1cccc(F)c1)Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.55
FAAH O00519 4/20 0.51
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45

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
SCHEMBL8273878 0.87 CHRNB4 (0.41) DPP4FAAH
SCHEMBL4666820 0.84 SPHK2 (0.45) DPP4FAAHSPHK2SPHK1
SCHEMBL6444425 0.83 DPP4 (0.40) DPP4FAAH
SCHEMBL14102394 0.82 DPP4 (0.61) DPP4FAAH
SCHEMBL6444430 0.81 DPP4 (0.67) DPP4
SCHEMBL4663279 0.79 DPP4 (0.60) DPP4SPHK2SPHK1
SCHEMBL6462811 0.79 DPP4 (0.60) DPP4SPHK2SPHK1
SCHEMBL6444432 0.76 DPP4 (0.46) DPP4FAAHSPHK2SPHK1
SCHEMBL4787324 0.75 METAP2 (0.37) FAAHSPHK2SPHK1
SCHEMBL8272572 0.74 DPP4 (0.58) DPP4

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
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US 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 DPP4 1/4885FAAH 2345/4885SPHK2 3512/4885

“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.