SCHEMBL650223

SCHEMBL650223

C#C[C@H]1CC[C@@H](C#N)N1C(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.48
HPGD P15428 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL646243 0.80 DPP4 (0.64) DPP4HPGDALDH1A1EPHX1
SCHEMBL645605 0.79 DPP4 (0.57) DPP4HPGDRECQLPTPN2PTPN1
SCHEMBL16105020 0.74 EPHX1 (0.49) HPGDGPR119RECQLMEN1KMT2A
SCHEMBL13634197 0.73 EPHX1 (0.48) HPGDGPR119RECQLMEN1KMT2A
SCHEMBL2079844 0.73 GPR119 (0.49) HPGDGPR119RECQLMEN1KMT2A
SCHEMBL16993001 0.72 EPHX1 (0.50) HPGDGPR119RECQLALDH1A1MAPT
SCHEMBL13811514 0.71 GPR119 (0.52) HPGDGPR119RECQLEPHX1
SCHEMBL4711418 0.71 HPGD (0.55) HPGDGPR119RECQLMEN1KMT2A
SCHEMBL13089780 0.70 GPR119 (0.51) HPGDGPR119RECQLMEN1ALDH1A1
SCHEMBL16095809 0.70 GPR119 (0.46) HPGDGPR119RECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 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-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885HPGD 1728/4885GPR119 11/4885

“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.