SCHEMBL2863109

SCHEMBL2863109

N[C@@H](CCCCN1CCN(c2ccnc3ccccc23)CC1)C(=O)N1CCSC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
AKT1 P31749 1/20 0.52
DRD2 P14416 8/20 0.52
DRD3 P35462 8/20 0.52
DPP4 P27487 6/20 0.50
DPP7 Q9UHL4 4/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
HTR1A P08908 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
SCHEMBL2863113 1.00 KCNH2 (0.53) KCNH2AKT1DRD2DRD3DPP4
SCHEMBL2855713 0.86 AKT1 (0.55) AKT1DRD2DRD3DPP4DPP7
SCHEMBL2855721 0.86 AKT1 (0.55) AKT1DRD2DRD3DPP4DPP7
SCHEMBL2882381 0.85 DPP4 (0.52) DRD2DRD3DPP4DPP7DPP8
SCHEMBL2882386 0.85 DPP4 (0.52) DRD2DRD3DPP4DPP7DPP8
SCHEMBL2859526 0.84 DPP4 (0.50) DRD2DPP4DPP7DPP8DPP9
SCHEMBL2859518 0.84 DPP4 (0.50) DRD2DPP4DPP7DPP8DPP9
SCHEMBL2849863 0.83 DPP4 (0.44) KCNH2DRD2DRD3DPP4DPP7
SCHEMBL2849859 0.83 DPP4 (0.44) KCNH2DRD2DRD3DPP4DPP7
Hydrochloric Acid SCHEMBL2850456 0.82 DRD2 (0.56) DRD2DRD3DPP4DPP7DPP8

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 KCNH2 3108/4885AKT1 3642/4885DRD2 1418/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 KCNH2 3103/4885AKT1 3942/4885DRD2 1311/4885

“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.