SCHEMBL757491

SCHEMBL757491

COc1ccc(CN2C[C@H](C(=O)O)[C@@H](c3cc(F)c(F)cc3F)CC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.55
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL757493 1.00 DPP4 (0.55) DPP4HTTALDH1A1CYP3A4CYP2C19
SCHEMBL757492 1.00 DPP4 (0.55) DPP4HTTALDH1A1CYP3A4CYP2C19
SCHEMBL755963 0.91 DPP4 (0.52) DPP4ALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL755964 0.91 DPP4 (0.52) DPP4ALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL755965 0.91 DPP4 (0.52) DPP4ALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL16141394 0.91 DPP4 (0.52) DPP4ALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL1243419 0.87 DPP4 (0.71) DPP4HTTALDH1A1KMT2A
SCHEMBL1243422 0.87 DPP4 (0.71) DPP4HTTALDH1A1KMT2A
SCHEMBL1243424 0.87 DPP4 (0.71) DPP4HTTALDH1A1KMT2A
SCHEMBL19972397 0.87 FPR1 (0.49) HTTALDH1A1CYP3A4CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921917-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-8017624-B2 Fused aminopiperidines as dipeptidyi peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20090258894-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2009-10-15 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-20090258894-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885HTT 2638/4885ALDH1A1 1471/4885

“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.