SCHEMBL3099545

SCHEMBL3099545

COc1cc(F)ccc1-c1cc(C(CC(C)C)Nc2ccc(C(=O)NCCC(=O)O)cc2)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCG P01275 16/20 0.47
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
GCGR P47871 1/20 0.41
KCNH2 Q12809 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
SCHEMBL3106976 0.92 GCG (0.49) GCG
SCHEMBL3110317 0.91 GCG (0.48) GCG
SCHEMBL3104773 0.90 GCG (0.52) GCGGCGR
SCHEMBL3100165 0.88 CCNT1 (0.46) CCNT1CDK9CCNA2CDK2KCNH2
SCHEMBL3101773 0.86 GCG (0.44) GCGGCGRKCNH2
SCHEMBL3095531 0.86 CCNT1 (0.38) GCGCCNT1CDK9CCNA2CDK2
SCHEMBL3107471 0.85 GCG (0.44) GCGGCGRKCNH2
SCHEMBL3113197 0.84 GCG (0.47) GCGGCGR
SCHEMBL3106816 0.83 GCG (0.45) GCGGCGR
SCHEMBL3099433 0.83 GCG (0.48) GCGGCGR

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 GCG 11/4885CCNT1 730/4885CDK9 3553/4885

“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.