SCHEMBL4666820

SCHEMBL4666820

N[C@@H](CCN1CCC[C@H]1COc1cccc(F)c1)Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.45
SPHK1 Q9NYA1 3/20 0.45
FAAH O00519 4/20 0.43
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
METAP2 P50579 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL6442733 0.84 DPP4 (0.55) SPHK2SPHK1FAAHDPP4
SCHEMBL4666817 0.81 SPHK2 (0.47) SPHK2SPHK1FAAH
SCHEMBL4664774 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7
SCHEMBL8273878 0.81 CHRNB4 (0.41) FAAHDPP4METAP2CHRNB4CHRNA3
SCHEMBL4664775 0.76 DPP4 (0.45) SPHK2SPHK1DPP4DPP8DPP9
SCHEMBL4787324 0.73 METAP2 (0.37) SPHK2SPHK1FAAHMETAP2CHRNB4
SCHEMBL9242127 0.71 CHRNB4 (0.72) CHRNB4CHRNA3
SCHEMBL9243817 0.71 CHRNB4 (0.72) CHRNB4CHRNA3
SCHEMBL9242124 0.71 CHRNB4 (0.72) CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL9239217 0.70 CHRNB4 (0.71) CHRNB4CHRNA3

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 5 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
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 SPHK2 3512/4885SPHK1 3794/4885FAAH 2345/4885

“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.