SCHEMBL2852668

SCHEMBL2852668

N[C@@H](CCCCN1CCN(c2ccncc2)CC1)C(=O)N1CCSC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.54
DPP7 Q9UHL4 5/20 0.54
DPP8 Q6V1X1 2/20 0.54
DPP9 Q86TI2 2/20 0.54
DRD4 P21917 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH3 Q9Y5N1 6/20 0.44
HRH1 P35367 1/20 0.43

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
SCHEMBL5375410 1.00 DPP4 (0.54) DPP4DPP7DPP8DPP9DRD4
SCHEMBL2879756 0.84 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL2879753 0.84 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL2855432 0.84 DPP7 (0.50) DPP4DPP7DPP8DPP9
SCHEMBL2855429 0.84 DPP7 (0.50) DPP4DPP7DPP8DPP9
SCHEMBL2878882 0.83 DPP4 (0.52) DPP4DPP7DPP8DPP9DRD4
SCHEMBL2878889 0.83 DPP4 (0.52) DPP4DPP7DPP8DPP9DRD4
SCHEMBL2856991 0.82 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL2856995 0.82 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL2859184 0.82 DPP4 (0.51) DPP4DPP7DPP8DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (2 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885DPP8 5/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885DPP8 5/4885

“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.