SCHEMBL5367891

SCHEMBL5367891

CC[C@H]1CC[C@H](C(=O)N2CC(F)(F)C[C@H]2C#N)N1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.62
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
FAP Q12884 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
SCHEMBL5367887 1.00 DPP4 (0.62) DPP4OPRM1OPRD1FAP
SCHEMBL5371937 0.84 DPP4 (0.60) DPP4OPRM1OPRD1FAP
SCHEMBL5371942 0.84 DPP4 (0.60) DPP4OPRM1OPRD1FAP
SCHEMBL5376590 0.77 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5376592 0.77 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5376155 0.77 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5376148 0.77 DPP4 (1.00) DPP4OPRM1OPRD1
Hydrochloric Acid SCHEMBL6184642 0.76 DPP4 (0.97) DPP4OPRM1OPRD1
SCHEMBL26876626 0.73 DPP4 (0.60) DPP4FAP
SCHEMBL719100 0.72 DPP4 (0.46) DPP4OPRM1OPRD1FAP

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-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885OPRM1 2511/4885OPRD1 1917/4885

“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.