SCHEMBL4246563

SCHEMBL4246563

O=C(NCC1C2CCC1CNC2)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC1 Q13547 1/20 0.52
DEGS1 O15121 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HAO1 Q9UJM8 1/20 0.47
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
MLYCD O95822 1/20 0.44
CXCR4 P61073 1/20 0.44
NAMPT P43490 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
EPHX2 P34913 1/20 0.43
CA2 P00918 1/20 0.43
CCR5 P51681 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
PPARD Q03181 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
SCHEMBL4242006 0.78 HDAC3 (0.54) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL4240858 0.78 HDAC1 (0.50) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL4243984 0.75 CD274 (0.46) HDAC6HDAC1MLYCD
SCHEMBL7332673 0.74 HDAC8 (0.69) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL13061385 0.73 HDAC6 (0.59) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL13061595 0.72 HDAC6 (0.58) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL9892966 0.72 HDAC8 (0.71) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL14880018 0.72 HDAC6 (0.96) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL15087727 0.71 HDAC8 (0.56) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL26154128 0.71 HDAC8 (0.60) HDAC6HDAC8HDAC1DEGS1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 HDAC6 1394/4885HDAC8 2026/4885HDAC1 1774/4885

“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.