SCHEMBL2849873

SCHEMBL2849873

N[C@@H](CCCCN1CCN(c2nc3ccccc3n2-c2ccccc2)CC1)C(=O)N1CCSC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.47
DPP7 Q9UHL4 5/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
DRD2 P14416 3/20 0.40
HTR7 P34969 2/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2849878 1.00 DPP4 (0.47) DPP4DPP7DPP8DPP9PIK3CD
SCHEMBL2854187 0.90 DPP4 (0.48) DPP4DPP7DPP8DPP9PIK3CD
SCHEMBL2854189 0.90 DPP4 (0.48) DPP4DPP7DPP8DPP9PIK3CD
SCHEMBL2852155 0.86 SCN9A (0.44) DPP4DPP7DPP8DPP9PIK3CD
SCHEMBL2852166 0.86 SCN9A (0.44) DPP4DPP7DPP8DPP9PIK3CD
SCHEMBL2855150 0.82 DPP4 (0.51) DPP4DPP7DPP8DPP9DRD2
SCHEMBL2880612 0.82 DPP4 (0.51) DPP4DPP7DPP8DPP9NPSR1
SCHEMBL2855144 0.82 DPP4 (0.51) DPP4DPP7DPP8DPP9DRD2
SCHEMBL2880615 0.82 DPP4 (0.51) DPP4DPP7DPP8DPP9NPSR1
SCHEMBL2853973 0.80 DPP4 (0.49) DPP4DPP7DPP8DPP9DRD2

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.