SCHEMBL9946326

SCHEMBL9946326

CCCC(=O)N1CCSC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.47
DPP7 Q9UHL4 7/20 0.47
DPP8 Q6V1X1 3/20 0.47
DPP9 Q86TI2 2/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12224197 0.88 L3MBTL1 (0.48) DPP4DPP7DPP8DPP9CHRNB2
SCHEMBL10611575 0.87 DPP4 (0.47) DPP4DPP7DPP8DPP9
SCHEMBL24102652 0.85 L3MBTL1 (0.58) DPP4DPP7DPP8DPP9L3MBTL1
SCHEMBL8264016 0.83
SCHEMBL10722676 0.80 DPP4 (0.44) DPP4DPP7DPP8DPP9
SCHEMBL10611650 0.78 DPP4 (0.44) DPP4DPP7DPP8DPP9
SCHEMBL10611656 0.77 DPP4 (0.42) DPP4DPP7DPP8DPP9
SCHEMBL5050092 0.77 DPP4 (0.39) DPP4DPP7DPP8DPP9
SCHEMBL20221172 0.76 L3MBTL1 (0.60) L3MBTL1MEN1KMT2ATDP1
SCHEMBL10663507 0.75 L3MBTL1 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 1/4885DPP7 3/4885DPP8 7/4885

“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.