SCHEMBL1240941

SCHEMBL1240941

COC(=O)[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.65
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1240946 1.00 DPP4 (0.65) DPP4TDP1PKMALDH1A1MEN1
SCHEMBL1240943 1.00 DPP4 (0.65) DPP4TDP1PKMALDH1A1MEN1
SCHEMBL16141394 0.90 DPP4 (0.52) DPP4ALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL755965 0.90 DPP4 (0.52) DPP4ALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL755963 0.90 DPP4 (0.52) DPP4ALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL755964 0.90 DPP4 (0.52) DPP4ALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL1243424 0.88 DPP4 (0.71) DPP4TDP1ALDH1A1MEN1GAA
SCHEMBL1243419 0.88 DPP4 (0.71) DPP4TDP1ALDH1A1MEN1GAA
SCHEMBL1243422 0.88 DPP4 (0.71) DPP4TDP1ALDH1A1MEN1GAA
SCHEMBL757491 0.82 DPP4 (0.55) DPP4ALDH1A1KMT2AMAPK1SMN1; SMN2

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
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 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-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885TDP1 1763/4885PKM 1815/4885

“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.