SCHEMBL3095461

SCHEMBL3095461

Cc1oc(-c2cnn(C)c2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCG P01275 13/20 0.38
MMP13 P45452 2/20 0.36
EPHX2 P34913 1/20 0.35
GLP1R P43220 1/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
RCE1 Q9Y256 1/20 0.34
NAMPT P43490 1/20 0.33
PDE7A Q13946 1/20 0.32

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
SCHEMBL13093864 0.88 ALDH1A1 (0.41) GCGRCE1NAMPT
SCHEMBL3109932 0.87 RCE1 (0.38) GCGMMP13EPHX2RCE1NAMPT
SCHEMBL3102136 0.87 ALDH1A1 (0.41) GCGRCE1NAMPT
SCHEMBL3107138 0.87 RCE1 (0.44) GCGMMP13RCE1NAMPTPDE7A
SCHEMBL3107045 0.87 GCG (0.49) GCGMMP13GLP1RGCGRGIPR
SCHEMBL13094219 0.87 PTGS2 (0.37) GCGRCE1
SCHEMBL13094229 0.87 HPGD (0.39) GCGEPHX2RCE1
SCHEMBL3101072 0.86 AKR1C3 (0.41) GCGMMP13EPHX2RCE1NAMPT
SCHEMBL3102500 0.86 TACR1 (0.39) GCGRCE1NAMPT
SCHEMBL3106912 0.86 MMP13 (0.37) GCGMMP13RCE1

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 11/4885MMP13 3966/4885EPHX2 1411/4885

“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.