SCHEMBL5239124

SCHEMBL5239124

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CC(C)(C)C)c(=O)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PTK2B Q14289 1/20 0.40
GRM5 P41594 2/20 0.39
PLA2G2D Q9UNK4 1/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.35
MAOA P21397 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 1/20 0.35
PLA2G2A P14555 1/20 0.35
PKM P14618 1/20 0.34
AR P10275 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL5234608 0.96 TSHR (0.40) TSHRPTK2BGRM5PLA2G2DMAOB
SCHEMBL5235940 0.87 ALDH1A1 (0.40) TSHRPTK2BL3MBTL1NPSR1MAPT
SCHEMBL5238346 0.86 MAOB (0.39) PLA2G2DMAOBACHEMAOAL3MBTL1
SCHEMBL5233781 0.86 HPGD (0.39) TSHRPTK2BL3MBTL1NPSR1MAPT
SCHEMBL5238292 0.86 MAOB (0.39) PLA2G2DMAOBACHEMAOAL3MBTL1
SCHEMBL5237827 0.86 TSHR (0.42) TSHRPTK2BL3MBTL1NPSR1PDE10A
SCHEMBL5232925 0.86 TSHR (0.45) TSHRPTK2BL3MBTL1NPSR1MAPT
Hydrochloric Acid SCHEMBL5232513 0.85 DPP4 (0.43) MAOBACHEMAOAL3MBTL1PLA2G2A
SCHEMBL5237497 0.85 TSHR (0.38) TSHRPTK2BGRM5L3MBTL1NPSR1
SCHEMBL5236649 0.85 MEN1 (0.40) TSHRPTK2BGRM5PDE10AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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 (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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 TSHR 2475/4885PTK2B 3599/4885GRM5 2008/4885

“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.