SCHEMBL4290743

SCHEMBL4290743

[O]C(=O)N1CCc2ccccc2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.70
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
MAPT P10636 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TMPRSS2 O15393 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAOA P21397 1/20 0.59
SLC6A2 P23975 1/20 0.59
HPGD P15428 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.58
KEAP1 Q14145 1/20 0.58

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
SCHEMBL27901981 0.86 NOTUM (0.72) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL322928 0.84 NOTUM (0.70) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL546055 0.82 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL7717627 0.82 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL29560844 0.82 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL3210469 0.82 NOTUM (1.00) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL5451417 0.82 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL16907562 0.82 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
Hydrochloric Acid SCHEMBL21496871 0.82 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL29590995 0.82 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1

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
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R NOTUM 2577/4885KMT2A 2408/4885MEN1 400/4885

“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.