SCHEMBL9944473

SCHEMBL9944473

CC(C)(C)CCN1CCn2nc(C(F)(F)F)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP7 Q9UHL4 1/20 0.39
NOTUM Q6P988 1/20 0.34
RIPK1 Q13546 10/20 0.33
RORC P51449 2/20 0.33
MYT1 Q01538 2/20 0.33
PARP1 P09874 1/20 0.32
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL22590473 0.85 DPP4 (0.38) DPP4DPP8DPP7NOTUMRIPK1
SCHEMBL9946441 0.83 DPP4 (0.36) DPP4DPP8DPP7NOTUMRIPK1
SCHEMBL13563255 0.82 DPP4 (0.39) DPP4DPP8DPP7NOTUMRIPK1
SCHEMBL22968395 0.78 DPP4 (0.42) DPP4DPP8DPP7NOTUMRIPK1
SCHEMBL7874453 0.77 DPP4 (0.39) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL13562737 0.74 DPP4 (0.37) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL9944486 0.71 DPP4 (0.53) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL9944469 0.70 P2RX7 (0.40) DPP4DPP8DPP7CACNA1I
SCHEMBL17538410 0.70 DPP4 (0.39) DPP4DPP8DPP7NOTUMMYT1
SCHEMBL10232785 0.70 DPP4 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 7/4885DPP7 3/4885

“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.