SCHEMBL3765180

SCHEMBL3765180

CCOC(=O)c1ncn2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)Cc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.52
DPP9 Q86TI2 2/20 0.52
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA1 P14867 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
CYP3A4 P08684 1/20 0.46
DPP8 Q6V1X1 1/20 0.45

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
SCHEMBL13002385 0.91 DPP4 (0.51) DPP4DPP9GABRG2GABRB3GABRA5
SCHEMBL13002389 0.88 DPP4 (0.55) DPP4DPP9CYP3A4DPP8
SCHEMBL3760294 0.88 DPP4 (0.52) DPP4DPP9CYP3A4DPP8
SCHEMBL8031258 0.88 DPP4 (0.49) DPP4DPP9CYP3A4DPP8
SCHEMBL16215825 0.87 DPP4 (0.49) DPP4DPP9GABRG2GABRB3GABRA5
SCHEMBL13002582 0.85 DPP4 (0.56) DPP4DPP9CYP3A4DPP8
SCHEMBL3765352 0.85 DPP4 (0.55) DPP4DPP9CYP3A4DPP8
SCHEMBL8019152 0.85 DPP4 (0.46) DPP4DPP9CYP3A4DPP8
SCHEMBL3760301 0.84 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3760820 0.84 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3

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 7 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
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-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

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 1/4885DPP9 5/4885GABRG2 4346/4885

“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.