SCHEMBL3095309

SCHEMBL3095309

CCc1sc(C(CC)CC)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.35
GCG P01275 9/20 0.32
PDE7A Q13946 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
HDAC6 Q9UBN7 2/20 0.30
TEAD4 Q15561 1/20 0.30

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
SCHEMBL3106888 0.90 RCE1 (0.34) RCE1GCGPDE7AITGB3ITGA2B
SCHEMBL3102441 0.88 RCE1 (0.36) RCE1GCGPDE7AITGB3ITGA2B
SCHEMBL3090387 0.86 RCE1 (0.46) RCE1PDE7ATEAD4
SCHEMBL3107455 0.86 RCE1 (0.34) RCE1GCGPDE7AITGB3ITGA2B
SCHEMBL3090008 0.86 RCE1 (0.35) RCE1GCGPDE7AITGB3ITGA2B
SCHEMBL3110567 0.86 RCE1 (0.35) RCE1GCGPDE7AITGB3ITGA2B
SCHEMBL3099356 0.86 RCE1 (0.35) RCE1GCGPDE7AITGB3ITGA2B
SCHEMBL3111657 0.86 RCE1 (0.35) RCE1GCGPDE7AITGB3ITGA2B
SCHEMBL3101285 0.85 GCG (0.44) GCG
SCHEMBL3113488 0.85 RCE1 (0.34) RCE1GCGPDE7AITGB3ITGA2B

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 RCE1 3126/4885GCG 11/4885PDE7A 3129/4885

“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.