SCHEMBL8240496

SCHEMBL8240496

Cn1c(=O)c2c(c(C(N)=O)c(N3CCCNCC3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.54
KCNH2 Q12809 5/20 0.49
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAP Q12884 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL4225103 0.99 DPP4 (0.53) DPP4KCNH2ALDH1A1L3MBTL1TSHR
SCHEMBL13780196 0.89 DPP4 (0.52) DPP4KCNH2ALDH1A1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL4225897 0.88 DPP4 (0.52) DPP4KCNH2ALDH1A1L3MBTL1TSHR
SCHEMBL8240070 0.84 DPP4 (0.61) DPP4KCNH2FAP
Hydrochloric Acid SCHEMBL4224919 0.83 DPP4 (0.61) DPP4KCNH2FAP
SCHEMBL8230984 0.82 DPP4 (0.69) DPP4KCNH2FAP
SCHEMBL8230451 0.82 DPP4 (0.62) DPP4KCNH2ALDH1A1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL4220187 0.81 DPP4 (0.68) DPP4KCNH2FAP
SCHEMBL4230360 0.80 DPP4 (0.45) DPP4KCNH2ALDH1A1TSHRLMNA
SCHEMBL8237262 0.77 DPP4 (0.68) DPP4KCNH2L3MBTL1FAP

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 1787/4885ALDH1A1 22/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885KCNH2 1859/4885ALDH1A1 363/4885

“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.