SCHEMBL719861

SCHEMBL719861

COc1ccc(-n2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C(C)C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
GCG P01275 4/20 0.37
GCGR P47871 2/20 0.37
GLP1R P43220 1/20 0.37
GIPR P48546 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
AURKA O14965 3/20 0.35
OPRM1 P35372 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3403967 0.93 MEN1 (0.39) SLC6A9GCGGCGRGLP1RGIPR
SCHEMBL717855 0.91 SLC6A9 (0.42) SLC6A9GCGGCGRGLP1RGIPR
SCHEMBL718196 0.89 SLC6A9 (0.41) SLC6A9GCGGCGRGLP1RGIPR
SCHEMBL719341 0.89 SLC6A9 (0.41) SLC6A9GCGGCGRGLP1RGIPR
SCHEMBL2669797 0.89 SLC6A9 (0.42) SLC6A9GCGGCGRGLP1RGIPR
SCHEMBL721415 0.89 SLC6A9 (0.41) SLC6A9GCGGCGRGLP1RGIPR
SCHEMBL718329 0.87 GCG (0.51) GCGGCGRGLP1RGIPR
SCHEMBL27834231 0.87 NTSR1 (0.38) SLC6A9GCGTP53ALDH1A1
SCHEMBL718452 0.85 MAPT (0.36) SLC6A9MEN1KMT2AMAPTALDH1A1
SCHEMBL720562 0.85 GCG (0.41) SLC6A9GCGGCGRGLP1RGIPR

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SLC6A9 1426/4885GCG 35/4885GCGR 90/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SLC6A9 1426/4885GCG 35/4885GCGR 90/4885

“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.