SCHEMBL3909277

SCHEMBL3909277

CCCCc1nc(Cl)c(COC(=O)C(F)(F)F)n1C[C@H]1CC[C@H](N)C1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
AGTR2 P50052 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
Trifluoroacetic Acid SCHEMBL3909280 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL27904621 0.81 AGTR1 (0.41) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL3901768 0.78 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL29183330 0.63 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL3895319 0.62 AGTR1 (0.39) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL3908849 0.60 NOTUM (0.40)
SCHEMBL227 0.59 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL3899533 0.58 CPB1 (0.33)
SCHEMBL29183326 0.58 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL28705014 0.58 SLC1A3 (0.33)

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-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 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-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 AGTR1 60/4885AGTR2 103/4885

“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.