SCHEMBL3095385

SCHEMBL3095385

Cc1cc(F)ccc1-c1cc(C(CC(C)C)Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)c(C)o1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
GCG P01275 9/20 0.37
GCGR P47871 1/20 0.34
CTSA P10619 1/20 0.34
PIK3CB P42338 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPK14 Q16539 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL3095531 0.90 CCNT1 (0.38) NAMPTGCGCTSAGPBAR1
SCHEMBL3099962 0.89 NAMPT (0.35) NAMPTGCGCTSAPIK3CBHDAC3
SCHEMBL3100035 0.88 HTT (0.35) GCGGCGRNPC1GAAGPBAR1
SCHEMBL3101498 0.87 NAMPT (0.38) NAMPTGCGHDAC6
SCHEMBL3104371 0.86 GNRHR (0.34) NAMPTGCGCTSAHDAC6GPBAR1
SCHEMBL3104773 0.85 GCG (0.52) GCGGCGR
SCHEMBL3109262 0.85 GCG (0.41) NAMPTGCGHDAC6NPC1GAA
SCHEMBL3095469 0.85 GCG (0.37) GCGCTSANPC1
SCHEMBL3101422 0.85 CTSA (0.36) GCGRCTSANPC1GAAGPBAR1
SCHEMBL3112856 0.83 OXTR (0.36) NAMPTGCGGCGRPIK3CBMAPK14

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 9 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
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 NAMPT 2658/4885GCG 11/4885GCGR 3/4885

“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.