SCHEMBL3099764

SCHEMBL3099764

Cc1oc(-c2ccncc2)cc1C(Oc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GCGR P47871 3/20 0.34
SLC6A9 P48067 1/20 0.34
GCG P01275 3/20 0.34
MMP13 P45452 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGES O14684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.32
EPHX2 P34913 1/20 0.32
SLC2A1 P11166 1/20 0.32
THRB P10828 1/20 0.32
ADCY1 Q08828 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
SCHEMBL13093863 0.93 KDM4E (0.40) KDM4EGCGRSLC6A9GCGHPGD
SCHEMBL3091354 0.91 MAPT (0.40) KDM4ESLC6A9MMP13HPGDNPC1
SCHEMBL3110676 0.91 AKR1C3 (0.40) KDM4EGCGRSLC6A9GCGMMP13
SCHEMBL3102778 0.90 MCHR1 (0.37) KDM4EGCGRSLC6A9GCGHPGD
SCHEMBL3091236 0.90 SLC6A9 (0.41) KDM4EGCGRSLC6A9MMP13SMN1; SMN2
SCHEMBL3095027 0.90 ALDH1A1 (0.40) KDM4EGCGRSLC6A9GCGHPGD
SCHEMBL3098966 0.90 GCGR (0.42) GCGRGCGHPGDSMN1; SMN2NPC1
SCHEMBL3102139 0.88 GCGR (0.46) GCGRGCG
SCHEMBL3098734 0.87 KDM4E (0.39) KDM4EGCGRGCGHPGDSMN1; SMN2
SCHEMBL3090571 0.87 NPC1 (0.38) KDM4EGCGRSLC6A9GCGNPC1

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 ROCK2 2204/4885KDM4E 2280/4885GCGR 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.