SCHEMBL14970436

SCHEMBL14970436

CC(=O)N1CCn2nc(C(F)(F)F)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.50
DPP8 Q6V1X1 3/20 0.50
DPP7 Q9UHL4 3/20 0.50
NOTUM Q6P988 2/20 0.46
MYT1 Q01538 2/20 0.45
PARP1 P09874 1/20 0.41
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.33
MGLL Q99685 1/20 0.33
IDH1 O75874 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
P2RX7 Q99572 2/20 0.32
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3131535 0.86 DPP4 (0.51) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL19722716 0.85 DPP4 (0.50) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL12820943 0.84 DPP4 (0.55) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL31612673 0.82 DPP4 (0.48) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL3133282 0.82 DPP4 (0.46) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL9944486 0.82 DPP4 (0.53) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL13194709 0.81 DPP4 (0.55) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL31612684 0.78 DPP4 (0.45) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL7874453 0.76 DPP4 (0.39) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL13562737 0.73 DPP4 (0.37) DPP4DPP8DPP7NOTUMMYT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR DPP4 620/4885DPP8 849/4885DPP7 469/4885

“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.