SCHEMBL9944483

SCHEMBL9944483

CC(C)(C)CC(=O)N1CCn2cc(C(F)(F)F)nc2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.53
FAP Q12884 1/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
SPR P35270 1/20 0.42
PDE7B Q9NP56 1/20 0.39
GRM2 Q14416 1/20 0.37
HDAC6 Q9UBN7 2/20 0.35
SCN9A Q15858 1/20 0.35
MGLL Q99685 2/20 0.34
BRS3 P32247 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TTK P33981 1/20 0.33

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
SCHEMBL12233963 0.87 P2RX7 (0.55) P2RX7FAPDPP4DPP8DPP7
SCHEMBL18701876 0.83 P2RX7 (0.56) P2RX7FAPDPP4DPP8DPP7
SCHEMBL12332206 0.82 P2RX7 (0.58) P2RX7FAPDPP4DPP8DPP7
SCHEMBL5935830 0.80 P2RX7 (0.53) P2RX7FAPDPP4DPP8DPP7
SCHEMBL31612677 0.77 P2RX7 (0.56) P2RX7FAPDPP4DPP8DPP7
SCHEMBL24996566 0.74 P2RX7 (0.41) P2RX7FAPDPP4DPP8DPP7
SCHEMBL12835450 0.74 P2RX7 (0.48) P2RX7FAPDPP4DPP8DPP7
SCHEMBL31612676 0.73 P2RX7 (0.52) P2RX7FAPDPP4DPP8DPP7
SCHEMBL19467734 0.73 P2RX7 (0.47) P2RX7FAPDPP4DPP8DPP7
SCHEMBL9944486 0.73 DPP4 (0.53) DPP4DPP8DPP7SCN9A

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 P2RX7 1910/4885FAP 40/4885DPP4 1/4885

“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.