SCHEMBL3095469

SCHEMBL3095469

COc1ccccc1-c1cc(C(CC(C)C)Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)c(C)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 4/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CTSA P10619 1/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARD Q03181 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL3104371 0.92 GNRHR (0.34) GCGROCK2ROCK1CTSAPPARD
SCHEMBL3095531 0.92 CCNT1 (0.38) GCGROCK2ROCK1CTSAPPARD
SCHEMBL3109262 0.87 GCG (0.41) GCGALDH1A1HPGDNPC1TDP1
SCHEMBL3089967 0.87 PPARD (0.42) CTSAMAOAMAOBALDH1A1HPGD
SCHEMBL3100035 0.87 HTT (0.35) GCGALDH1A1HPGDHSD17B10NPC1
SCHEMBL3106976 0.86 GCG (0.49) GCGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3104644 0.85 ALDH1A1 (0.43) GCGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3095385 0.85 NAMPT (0.38) GCGCTSANPC1
SCHEMBL3101422 0.85 CTSA (0.36) CTSAALDH1A1HPGDHSD17B10NPC1
SCHEMBL3111733 0.85 HSD17B2 (0.40) GCGMAOAMAOBALDH1A1HPGD

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 11/4885ROCK2 2204/4885ROCK1 1357/4885

“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.