SCHEMBL719331

SCHEMBL719331

Cc1sc2ccccc2c1C(Nc1ccc(C(=O)NCCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.53
GCG P01275 15/20 0.46
GLP1R P43220 1/20 0.43
GIPR P48546 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL720571 0.88 GCGR (0.53) GCGRGCGGLP1RGIPRCYP2D6
SCHEMBL720038 0.86 GCGR (0.53) GCGRGCGGLP1RGIPRCYP2D6
SCHEMBL718541 0.86 RCE1 (0.46) GCGR
SCHEMBL719577 0.85 GCGR (0.37) GCGRGCG
SCHEMBL719279 0.84 GCGR (0.49) GCGRGCGGLP1RGIPRCYP2D6
SCHEMBL719326 0.82 GCG (0.46) GCGRGCGGLP1RGIPRCYP2D6
SCHEMBL717386 0.81 GCG (0.46) GCGRGCGGLP1RGIPRCYP2D6
SCHEMBL717966 0.80 GCGR (0.48) GCGRGCGGLP1RGIPRCYP2D6
SCHEMBL3104116 0.80 GCG (0.49) GCGRGCGGLP1RGIPR
SCHEMBL3107034 0.80 GCG (0.46) GCGRGCGGLP1RGIPRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
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 (2 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 90/4885GCG 35/4885GLP1R 5/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GCG 35/4885GLP1R 5/4885

“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.