SCHEMBL1716008

SCHEMBL1716008

O=c1oc(=O)n(CC2CCOCC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
CNR1 P21554 4/20 0.44
DHFR P00374 1/20 0.42
BRD4 O60885 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42

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
SCHEMBL6737897 0.92 CNR2 (0.46) CNR2CNR1DHFRBRD4BAZ2A
SCHEMBL5259729 0.91 DHFR (0.46) DHFR
SCHEMBL6689039 0.89 NPC1 (0.45) DHFR
SCHEMBL5260181 0.87 NPC1 (0.50) CNR2CNR1DHFR
SCHEMBL29949593 0.84 HTR1A (0.44)
SCHEMBL30357417 0.83 USP2 (0.57)
SCHEMBL6235260 0.81 TSHR (0.63) CNR2CNR1DHFR
SCHEMBL29950001 0.79 TSHR (0.45)
SCHEMBL5309142 0.77 HPGD (0.44) CNR2CNR1DHFR
SCHEMBL6736819 0.76 DHFR (0.43) DHFR

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-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 CNR2 2092/4885CNR1 1412/4885DHFR 309/4885

“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.