SCHEMBL720529

SCHEMBL720529

COc1cc(OC)cc(-n2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)n2)c1.COc1cc(OC)cc([N+]2(C)C=C(C(=O)O)C(C)=N2)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCG P01275 2/20 0.35
SLC6A9 P48067 1/20 0.31
RCE1 Q9Y256 1/20 0.30
NTSR1 P30989 1/20 0.30

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
SCHEMBL718170 0.94 GCG (0.33) GCGSLC6A9RCE1NTSR1
SCHEMBL720562 0.89 GCG (0.41) GCGSLC6A9RCE1NTSR1
SCHEMBL718417 0.88 GCG (0.36) GCGRCE1
SCHEMBL720865 0.85 GCG (0.32) GCG
SCHEMBL718463 0.84 GCG (0.34) GCGRCE1NTSR1
SCHEMBL720391 0.84 GCG (0.40) GCGSLC6A9RCE1NTSR1
SCHEMBL717855 0.84 SLC6A9 (0.42) GCGSLC6A9
SCHEMBL718892 0.83 GCG (0.35) GCGSLC6A9RCE1NTSR1
SCHEMBL717960 0.82 GCG (0.46) GCG
SCHEMBL718698 0.81 KMT2A (0.32) GCGSLC6A9NTSR1

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 35/4885SLC6A9 1426/4885RCE1 2661/4885

“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.