SCHEMBL3094501

SCHEMBL3094501

Cc1sc(-c2ccccc2)cc1C(Nc1ccc(C(=O)NCC(O)C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.39
GIPR P48546 10/20 0.39
RCE1 Q9Y256 1/20 0.39
PRMT5 O14744 2/20 0.36
PGR P06401 1/20 0.36
MAPK14 Q16539 1/20 0.35
CHEK1 O14757 1/20 0.35
OPRM1 P35372 1/20 0.35
CTSS P25774 1/20 0.34

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
SCHEMBL3090871 0.91 GCGR (0.41) GCGRGIPRMAPK14
SCHEMBL3107034 0.87 GCG (0.46) GCGRGIPRRCE1
SCHEMBL3109922 0.85 RCE1 (0.52) RCE1PGRMAPK14CHEK1
SCHEMBL3112813 0.83 GCGR (0.39) GCGRGIPRRCE1PRMT5PGR
SCHEMBL3113000 0.79 RCE1 (0.39) RCE1PGRCHEK1
SCHEMBL3109173 0.78 GCGR (0.53) GCGRGIPR
SCHEMBL3110106 0.77 RCE1 (0.45) GCGRGIPRRCE1MAPK14
SCHEMBL3104709 0.77 RCE1 (0.42) RCE1CHEK1
SCHEMBL3111814 0.76 GCG (0.47) GCGR
SCHEMBL3109072 0.75 GCG (0.46) GCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR GCGR 3/4885GIPR 7/4885RCE1 3126/4885

“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.