SCHEMBL647239

SCHEMBL647239

CC#C[C@H]1CC[C@@H](C(=O)OC)N1C(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
PDE5A O76074 5/20 0.33
GPX4 P36969 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
OPRK1 P41145 1/20 0.31

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
SCHEMBL648438 0.85 KDM4E (0.32) PDE5AGPX4NPC1RAB9APAX8
SCHEMBL6204432 0.84 DPP4 (0.41) DPP4ALDH1A1
SCHEMBL645766 0.84 DPP4 (0.41) DPP4ALDH1A1
SCHEMBL646398 0.82 DPP4 (0.40) DPP4ALDH1A1
SCHEMBL647534 0.82 DPP4 (0.39) DPP4
SCHEMBL6201514 0.76 DPP4 (0.62) DPP4
SCHEMBL647079 0.76 DPP4 (0.62) DPP4
SCHEMBL11998116 0.71 KDM4E (0.32) RAB9AKDM4E
SCHEMBL14263088 0.70 DPP4 (0.35) DPP4
SCHEMBL6204436 0.69 ACE (0.32) ALDH1A1

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-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 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 (2 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-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885PDE5A 261/4885GPX4 681/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885PDE5A 250/4885GPX4 663/4885

“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.