SCHEMBL8105061

SCHEMBL8105061

COCCn1c2c(c3ccccc31)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.66
HDAC1 Q13547 5/20 0.66
PTGDR2 Q9Y5Y4 7/20 0.52
CYP2C9 P11712 2/20 0.48
HDAC10 Q969S8 3/20 0.47
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
KRAS P01116 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTGER2 P43116 1/20 0.45
PTGDR Q13258 1/20 0.45

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
SCHEMBL31078517 0.87 HDAC6 (0.68) HDAC6HDAC1PTGDR2CYP2C9HDAC10
SCHEMBL2247025 0.86 PTGDR2 (0.60) HDAC6HDAC1PTGDR2CYP2C9HDAC10
SCHEMBL2248432 0.85 HDAC6 (0.66) HDAC6HDAC1PTGDR2CYP2C9HDAC10
SCHEMBL2086484 0.85 PTGDR2 (0.72) HDAC6HDAC1PTGDR2CYP2C9PTGER2
SCHEMBL31078408 0.84 HDAC6 (0.67) HDAC6HDAC1PTGDR2CYP2C9HDAC10
SCHEMBL14067957 0.84 HDAC1 (0.60) HDAC6HDAC1PTGDR2CYP2C9HDAC10
SCHEMBL30506410 0.83 HDAC6 (0.60) HDAC6HDAC1PTGDR2HDAC10HDAC8
SCHEMBL21114856 0.83 HDAC6 (0.60) HDAC6HDAC1PTGDR2HDAC10HDAC8
SCHEMBL31078337 0.83 HDAC6 (0.64) HDAC6HDAC1PTGDR2CYP2C9HDAC10
SCHEMBL8097901 0.83 HDAC6 (0.64) HDAC6HDAC1PTGDR2CYP2C9HDAC10

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
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB HDAC6 121/4885HDAC1 340/4885PTGDR2 4076/4885

“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.