SCHEMBL3114371

SCHEMBL3114371

CC(C)(C)OC(=O)N1CCC(C(=O)C(Cl)(Cl)Cl)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
GPR119 Q8TDV5 6/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPK1 P28482 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
ALDH1A1 P00352 1/20 0.39
STS P08842 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1006353 0.86 KDM4E (0.43) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL4722920 0.84 HPGD (0.47) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL10296221 0.84 MAPT (0.46) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL8304911 0.84 GPR119 (0.47) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL23979945 0.82 ALDH1A1 (0.45) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL13047176 0.78 MAPT (0.41) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL19073726 0.78 MEN1 (0.45) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL652243 0.78 MEN1 (0.45) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL5765921 0.78 MAPT (0.48) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL19420078 0.78 MAPT (0.48) KDM4EMAPTTHRBHPGDGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470836-B2 Dipeptidyl peptidase-IV inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as active agent LG LIFE SCIENCES, LTD. (KR) 2013-06-25 US disclosed
US-20100274013-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2010-10-28 US disclosed
EP-2220086-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082134-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2009-07-02 WO 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-20100274013-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT DPP4, DPP7, DPP9 KDM4E 1027/4885MAPT 4169/4885THRB 3416/4885

“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.