SCHEMBL586982

SCHEMBL586982

COc1cc2c(cn1)CN(C(C)(C)C)CC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNA2 Q15822 1/20 0.38
PDE10A Q9Y233 2/20 0.38
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
SLC6A4 P31645 1/20 0.35
PDE4D Q08499 1/20 0.32
DHFR P00374 1/20 0.32
CA7 P43166 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19498202 0.87 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA4CHRNA2PDE10A
SCHEMBL13094745 0.80 MAOA (0.57) CHRNB2CHRNB4CHRNA4CHRNA2PDE10A
SCHEMBL587912 0.78 ESR2 (0.31)
SCHEMBL29317655 0.78 MOGAT2 (0.35)
SCHEMBL24867530 0.78 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL18218281 0.78 DHFR (0.40) CHRNB2CHRNB4CHRNA4CHRNA2PDE10A
SCHEMBL5962445 0.76 MAOB (0.61) MAOAMAOBSLC6A4PDE4DCA7
SCHEMBL24702476 0.74 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA4CHRNA2PDE10A
SCHEMBL17624454 0.72 SLC6A4 (0.42) CHRNB2CHRNB4CHRNA4CHRNA2PDE10A
SCHEMBL7238336 0.71 NOS3 (0.50) CHRNB2CHRNB4CHRNA4CHRNA2PDE10A

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 8 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-7700604-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-04-20 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
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 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 (3 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 CHRNB2 4301/4885CHRNB4 4609/4885CHRNA4 4597/4885
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 CHRNB2 4301/4885CHRNB4 4609/4885CHRNA4 4597/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 CHRNB2 4301/4885CHRNB4 4609/4885CHRNA4 4597/4885

“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.