SCHEMBL587912

SCHEMBL587912

CC(C)(C)N1CCc2cc(O)ncc2C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.31
TTBK1 Q5TCY1 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL29317655 0.81 MOGAT2 (0.35)
SCHEMBL24867530 0.81 CHRNB2 (0.33)
SCHEMBL586982 0.78 CHRNB2 (0.38)
SCHEMBL13094739 0.78 MAOA (0.47) DRD2DRD1DRD5DRD3
SCHEMBL30063573 0.73 NOTUM (0.53) ESR2
SCHEMBL23856225 0.73 NOTUM (0.53) ESR2
SCHEMBL30120962 0.73 ESR2 (0.64) ESR2
SCHEMBL585122 0.71
SCHEMBL8264643 0.71 PDE4D (0.50)
SCHEMBL5316006 0.71 ESR2 (0.39) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US disclosed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 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 (2 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-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ESR2 3455/4885TTBK1 3431/4885DRD2 2638/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ESR2 3455/4885TTBK1 3431/4885DRD2 2638/4885

“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.