SCHEMBL3272687

SCHEMBL3272687

O=C1NCCCC1(CO)CCO

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 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
SCHEMBL7046578 0.74 GRIN1 (0.36) GRIN1GRIN2A
SCHEMBL6730153 0.74 GRIN1 (0.38) GRIN1GRIN2A
SCHEMBL26829430 0.71 GRIN1 (0.33) GRIN1GRIN2A
SCHEMBL7200830 0.71 GRIN1 (0.33) GRIN1GRIN2A
SCHEMBL6127932 0.71
SCHEMBL24471011 0.71 GRIN1 (0.36) GRIN1GRIN2A
SCHEMBL26618967 0.71 AR (0.36)
SCHEMBL9800283 0.69 GRIN1 (0.33) GRIN1GRIN2A
SCHEMBL15200795 0.67 GRIN1 (0.34) GRIN1GRIN2A
SCHEMBL12489946 0.67 GRIN1 (0.34) GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071773-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTISAG (CH) 2011-12-06 US disclosed
EP-1885724-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-06-23 EP disclosed
US-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-04-30 US disclosed
EP-1885724-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-02-13 EP disclosed
WO-2006128853-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 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-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 GRIN1 1938/4885GRIN2A 3190/4885

“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.