SCHEMBL4664775

SCHEMBL4664775

NC(CCc1cccc(Cl)c1)C(=O)N1CCC[C@H]1COc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.45
DPP8 Q6V1X1 4/20 0.45
DPP9 Q86TI2 4/20 0.45
DPP7 Q9UHL4 4/20 0.45
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM3 P20309 1/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
NPC1 O15118 1/20 0.39
METAP2 P50579 1/20 0.39
DRD4 P21917 1/20 0.38

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
SCHEMBL6444432 0.86 DPP4 (0.46) DPP4DPP8DPP9DPP7SPHK2
SCHEMBL4664774 0.82 DPP4 (0.62) DPP4DPP8DPP9DPP7
SCHEMBL4666820 0.76 SPHK2 (0.45) DPP4DPP8DPP9DPP7SPHK2
SCHEMBL2260961 0.75 CHRNB4 (0.50) SPHK2METAP2
SCHEMBL3163185 0.73 FFAR1 (0.55)
SCHEMBL6444430 0.71 DPP4 (0.67) DPP4DPP8DPP9DPP7
SCHEMBL9241908 0.70 ALOX5AP (0.51) METAP2
SCHEMBL4666689 0.70 ALOX5AP (0.51) METAP2
SCHEMBL9900728 0.70 ALOX5AP (0.51) METAP2
SCHEMBL7310489 0.70 SPHK2 (0.47) SPHK2SPHK1

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-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 1/4885DPP8 5/4885DPP9 2/4885

“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.