SCHEMBL716934

SCHEMBL716934

CCCCCCC(Nc1ccccc1C(=O)NCCC(=O)O)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.45
GIPR P48546 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
PHGDH O43175 3/20 0.41
CNR2 P34972 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
SCHEMBL3402318 0.85 GCGR (0.49) GCGRGIPRKCNH2
SCHEMBL718652 0.75 OXER1 (0.48) PHGDH
SCHEMBL721063 0.73 MAPT (0.40) PHGDH
SCHEMBL717614 0.69 CCKBR (0.38) GCGRGIPRKCNH2PHGDH
SCHEMBL2669829 0.68 GCGR (0.49) GCGRGIPRKCNH2HDAC3HDAC1
SCHEMBL926750 0.67 GCGR (0.57) GCGRGIPRKCNH2
SCHEMBL926749 0.67 GCGR (0.57) GCGRGIPRKCNH2
SCHEMBL2662316 0.67 GCGR (0.57) GCGRGIPRKCNH2
SCHEMBL3397752 0.67 CCKBR (0.39) GCGRGIPRKCNH2PHGDH
SCHEMBL718772 0.66 GCG (0.44)

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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 GCGR 90/4885GIPR 41/4885KCNH2 2392/4885

“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.