SCHEMBL4230730

SCHEMBL4230730

COc1cccc(C(=O)Cn2c(=O)c3c(c(C#N)c(N4CCNCC4)n3CC=C(C)C)n(C)c2=O)c1

nearest known ligand 0.94

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.94
KCNH2 Q12809 13/20 0.94
MAPK1 P28482 1/20 0.44
FAP Q12884 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
SCHEMBL4229303 0.97 DPP4 (1.00) DPP4KCNH2
SCHEMBL8237185 0.89 DPP4 (0.76) DPP4KCNH2MAPK1
SCHEMBL8237707 0.88 DPP4 (0.76) DPP4KCNH2FAP
SCHEMBL4221514 0.86 DPP4 (1.00) DPP4KCNH2FAP
SCHEMBL4221509 0.86 DPP4 (1.00) DPP4KCNH2FAP
SCHEMBL8236794 0.85 DPP4 (0.80) DPP4KCNH2FAP
Hydrochloric Acid SCHEMBL4226150 0.85 DPP4 (0.79) DPP4KCNH2FAP
SCHEMBL4220198 0.84 DPP4 (1.00) DPP4KCNH2
SCHEMBL4223425 0.81 DPP4 (0.94) DPP4KCNH2
Trifluoroacetic Acid SCHEMBL5719515 0.77 DPP4 (0.60) DPP4KCNH2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
EP-1966215-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO 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-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885KCNH2 1787/4885MAPK1 781/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885KCNH2 1859/4885MAPK1 4116/4885

“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.