SCHEMBL720841

SCHEMBL720841

COc1ccc(-n2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C3CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.37
SLC6A9 P48067 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
GCGR P47871 2/20 0.35
GIPR P48546 1/20 0.35
OPRM1 P35372 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LIMK2 P53671 1/20 0.34
AURKA O14965 3/20 0.34
TBXAS1 P24557 1/20 0.34
DRD2 P14416 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 1/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL722254 0.87 GCG (0.38) GCGL3MBTL1ADORA3GCGRMEN1
SCHEMBL717927 0.87 GCGR (0.48) GCGGCGRGIPR
SCHEMBL717949 0.87 GCG (0.41) GCGL3MBTL1ADORA3GCGRMEN1
SCHEMBL718196 0.85 SLC6A9 (0.41) GCGSLC6A9L3MBTL1ADORA3GCGR
SCHEMBL717855 0.79 SLC6A9 (0.42) GCGSLC6A9L3MBTL1ADORA3GCGR
SCHEMBL719861 0.78 SLC6A9 (0.41) GCGSLC6A9L3MBTL1ADORA3GCGR
SCHEMBL720893 0.78 GCGR (0.41) GCGGCGRGIPR
SCHEMBL719341 0.76 SLC6A9 (0.41) GCGSLC6A9L3MBTL1ADORA3GCGR
SCHEMBL721415 0.76 SLC6A9 (0.41) GCGSLC6A9L3MBTL1ADORA3GCGR
SCHEMBL717241 0.75 GCG (0.44) GCGL3MBTL1GCGRMEN1KMT2A

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
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-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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 (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 GCG 35/4885SLC6A9 1426/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885SLC6A9 1426/4885L3MBTL1 4088/4885

“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.