SCHEMBL4664868

SCHEMBL4664868

Fc1cccc(OCN2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SLC6A3 Q01959 2/20 0.50
SLC6A4 P31645 2/20 0.47
DRD2 P14416 1/20 0.47
USP2 O75604 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
LTA4H P09960 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
KDM4E B2RXH2 3/20 0.44
BACE1 P56817 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL18483417 0.83 LTA4H (0.66) SMN1; SMN2ALDH1A1SLC6A3LTA4HKDM4E
SCHEMBL990744 0.82 HTT (0.41) SMN1; SMN2ALDH1A1SLC6A3SLC6A4DRD2
SCHEMBL4178236 0.80 HRH3 (0.42) SMN1; SMN2ALDH1A1LTA4HKDM4E
SCHEMBL5565916 0.79 HRH3 (0.59) SMN1; SMN2ALDH1A1ACE2LTA4HKDM4E
SCHEMBL12486958 0.77 LTA4H (0.58) SMN1; SMN2ALDH1A1LTA4HKDM4E
SCHEMBL3163559 0.77 HRH3 (0.63) ALDH1A1USP2LTA4H
SCHEMBL3154476 0.76 HRH3 (0.57) SMN1; SMN2ALDH1A1LTA4HKDM4EBACE1
SCHEMBL7496243 0.75 POLB (0.51) SLC6A3SLC6A2
SCHEMBL19206096 0.74 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1SLC6A3SLC6A4DRD2
SCHEMBL3160198 0.74 HRH3 (0.49) SMN1; SMN2ALDH1A1DRD2ACE2KDM4E

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
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
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 SMN1; SMN2 4552/4885ALDH1A1 382/4885SLC6A3 863/4885

“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.