SCHEMBL8029326

SCHEMBL8029326

N[C@@H](CC(=O)N1Cc2cc(F)ccc2-n2cnnc2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
DPP8 Q6V1X1 12/20 0.61
DPP9 Q86TI2 2/20 0.56
CYP3A4 P08684 1/20 0.51
DPP7 Q9UHL4 3/20 0.50
ACE P12821 1/20 0.50
HTR2A P28223 1/20 0.50
FAP Q12884 1/20 0.50

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
SCHEMBL788194 0.94 DPP4 (0.63) DPP4DPP8DPP9CYP3A4DPP7
SCHEMBL8033970 0.91 DPP4 (0.64) DPP4DPP8DPP9CYP3A4DPP7
SCHEMBL8017858 0.91 DPP4 (0.66) DPP4DPP8DPP9DPP7ACE
SCHEMBL8027561 0.86 DPP4 (0.61) DPP4DPP8DPP9DPP7ACE
SCHEMBL8028181 0.78 DPP4 (0.54) DPP4DPP8DPP9CYP3A4DPP7
SCHEMBL3770546 0.77 DPP4 (0.42) DPP4DPP8DPP9CYP3A4DPP7
SCHEMBL8031152 0.77 DPP4 (0.55) DPP4DPP8DPP9CYP3A4DPP7
SCHEMBL8019928 0.77 DPP4 (0.51) DPP4DPP9CYP3A4
SCHEMBL20781026 0.77 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL3777544 0.76 DPP4 (0.55) DPP4DPP8DPP9CYP3A4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 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 (1 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885DPP8 3/4885DPP9 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.