SCHEMBL3095389

SCHEMBL3095389

COc1ccc(-c2cc(CO)c(C)o2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.39
SCD5 Q86SK9 2/20 0.35
SCD O00767 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PPARG P37231 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.32
NNMT P40261 1/20 0.32
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL3106623 0.83 P2RX7 (0.30) P2RX7
SCHEMBL3107331 0.80 BTK (0.37) MAOBRAB9AALDH1A1PDE4APDE4B
SCHEMBL3107026 0.77 HDAC6 (0.46) MAPT
SCHEMBL3110599 0.77 PTGER4 (0.50) SCD5SCDNPC1RAB9APTGER4
SCHEMBL3112745 0.71 EGFR (0.51) MAOBNPC1RAB9AMAPTPTGER4
SCHEMBL3110181 0.69 ALDH1A1 (0.49) NPC1RAB9AMAPTPTGER4ALDH1A1
SCHEMBL3099232 0.68 KDM4E (0.42) NPC1RAB9AP2RX7ALDH1A1MEN1
SCHEMBL3107721 0.68 ALDH1A1 (0.48) MAOBNPC1RAB9AMAPTPTGER4
SCHEMBL13052057 0.67 NNMT (0.39) MAOBNPC1RAB9APPARGDUSP3
SCHEMBL1456221 0.67 NNMT (0.46) MAOBNPC1RAB9APPARGDUSP3

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 4 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-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 MAOB 1916/4885SCD5 4694/4885SCD 4815/4885

“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.