SCHEMBL3101422

SCHEMBL3101422

COc1ccc(F)c(-c2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C)o2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.36
FFAR1 O14842 5/20 0.34
RORC P51449 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
GCGR P47871 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DRD2 P14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
C5AR1 P21730 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
SCHEMBL3100035 0.91 HTT (0.35) RORCALDH1A1HPGDMAPTKMT2A
SCHEMBL3104644 0.88 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL3095683 0.88 GAA (0.41) CTSAALDH1A1HPGDMAPTKMT2A
SCHEMBL3095531 0.87 CCNT1 (0.38) CTSAGPBAR1
SCHEMBL3101773 0.87 GCG (0.44) GCGR
SCHEMBL3111733 0.86 HSD17B2 (0.40) ALDH1A1HPGDMAPTKMT2A
SCHEMBL3104371 0.85 GNRHR (0.34) CTSAGPBAR1
SCHEMBL3095469 0.85 GCG (0.37) CTSAFFAR1ALDH1A1HPGDNPC1
SCHEMBL3095385 0.85 NAMPT (0.38) CTSAGAAGPBAR1GCGRNPC1
SCHEMBL3095333 0.83 AKR1C3 (0.40) CTSAALDH1A1HPGDMAPTGCGR

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 7 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

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 CTSA 2463/4885FFAR1 509/4885RORC 1027/4885

“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.