SCHEMBL8239015

SCHEMBL8239015

Cn1cnc2c(C#N)c(N3CCCNCC3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.93

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.93
KCNH2 Q12809 7/20 0.47
FAP Q12884 1/20 0.46
HTT P42858 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
Hydrochloric Acid SCHEMBL4230561 0.99 DPP4 (0.91) DPP4KCNH2FAP
SCHEMBL8239153 0.96 DPP4 (1.00) DPP4KCNH2HTT
Hydrochloric Acid SCHEMBL4224440 0.95 DPP4 (0.98) DPP4KCNH2HTT
SCHEMBL13798768 0.86 DPP4 (0.69) DPP4KCNH2FAP
SCHEMBL8239149 0.84 DPP4 (1.00) DPP4KCNH2
SCHEMBL8237588 0.83 DPP4 (0.65) DPP4KCNH2FAP
Hydrochloric Acid SCHEMBL4220157 0.83 DPP4 (0.98) DPP4KCNH2
Hydrochloric Acid SCHEMBL4220152 0.83 DPP4 (0.98) DPP4KCNH2
Hydrochloric Acid SCHEMBL4218905 0.82 DPP4 (0.64) DPP4KCNH2FAP
SCHEMBL13798769 0.82 DPP4 (0.74) DPP4KCNH2FAP

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-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
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 1787/4885FAP 77/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885KCNH2 1859/4885FAP 31/4885

“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.