SCHEMBL5237229

SCHEMBL5237229

Cn1c(CNC(=O)O)c(-c2ccc(F)cc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.56
CYP3A4 P08684 1/20 0.42
TACR1 P25103 6/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CENPE Q02224 1/20 0.39
DHODH Q02127 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
SCHEMBL5238106 0.89 DPP4 (0.53) DPP4TACR1
SCHEMBL7174997 0.87 DPP4 (0.54) DPP4CYP3A4TACR1
SCHEMBL5240910 0.84 DPP4 (0.59) DPP4CYP3A4TACR1CENPEDHODH
SCHEMBL5233643 0.83 DPP4 (0.59) DPP4TACR1
SCHEMBL5237066 0.83 DPP4 (0.56) DPP4TACR1
SCHEMBL5236772 0.83 DPP4 (0.60) DPP4CYP3A4TACR1
SCHEMBL6110970 0.82 DPP4 (0.77) DPP4CYP3A4TACR1
SCHEMBL8947817 0.81 DPP4 (0.55) DPP4TACR1
Hydrochloric Acid SCHEMBL5236244 0.81 DPP4 (0.76) DPP4CYP3A4TACR1
SCHEMBL5235258 0.81 DPP4 (0.53) DPP4TACR1RXFP1

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885CYP3A4 663/4885TACR1 1624/4885

“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.