SCHEMBL4291340

SCHEMBL4291340

[O]C(=O)N1CCCc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.77
NOTUM Q6P988 1/20 0.72
SIGMAR1 Q99720 1/20 0.66
HTT P42858 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MGLL Q99685 1/20 0.60
RECQL P46063 1/20 0.59

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
SCHEMBL13311774 0.87 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL4019697 0.87 SMN1; SMN2 (0.79) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL29353444 0.85 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL2829456 0.85 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL5356744 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL771590 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL3120560 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL330273 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
Hydrochloric Acid SCHEMBL11845665 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL4295603 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1

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 1 patent. 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

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 SMN1; SMN2 4585/4885NOTUM 2577/4885SIGMAR1 862/4885

“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.