SCHEMBL721236

SCHEMBL721236

CC1=N[N+](C)(c2ccccc2)C=C1C(=O)O.Cc1nn(-c2ccccc2)cc1C(Nc1ccc(C(=O)NCCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCG P01275 15/20 0.48
GCGR P47871 4/20 0.44
GIPR P48546 2/20 0.44
GLP1R P43220 1/20 0.44
DGAT1 O75907 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
SCHEMBL721233 0.93 GCG (0.49) GCGGCGRGIPRGLP1R
SCHEMBL717960 0.92 GCG (0.46) GCGGCGRGIPRGLP1R
SCHEMBL716844 0.92 GCGR (0.54) GCGGCGRGIPRGLP1R
SCHEMBL720946 0.90 GCGR (0.49) GCGGCGRGIPRGLP1R
SCHEMBL716763 0.88 GCG (0.58) GCGGCGRGIPRGLP1RDGAT1
SCHEMBL716027 0.85 GCG (0.41) GCGGCGRGIPRGLP1R
SCHEMBL716765 0.82 GCG (0.46) GCGGCGRGIPRGLP1R
SCHEMBL718417 0.82 GCG (0.36) GCG
SCHEMBL720658 0.81 GCG (0.60) GCGGCGRGIPRGLP1R
SCHEMBL718170 0.81 GCG (0.33) GCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885GCGR 90/4885GIPR 41/4885

“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.