SCHEMBL2538679

SCHEMBL2538679

CNC(=O)C1C[CH]CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA7 P36544 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
GRM4 Q14833 1/20 0.35
PTPN1 P18031 1/20 0.33
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2540707 0.98 HDAC8 (0.41) HDAC8HDAC6CHRNB2CHRNA4CHRNA7
SCHEMBL2540305 0.94 CHRNB2 (0.37) HDAC8HDAC6CHRNB2CHRNA4CHRNA7
SCHEMBL2541575 0.89 HDAC8 (0.42) HDAC8HDAC6CHRNB2CHRNA4CHRNA7
SCHEMBL2533327 0.88
SCHEMBL2536821 0.82 HDAC8 (0.39) HDAC8HDAC6CHRNB2CHRNA4CHRNA7
SCHEMBL2533263 0.82 HDAC8 (0.41) HDAC8HDAC6CHRNB2CHRNA4CHRNA7
SCHEMBL761340 0.79
SCHEMBL2536916 0.77 CHRNB2 (0.42) HDAC8HDAC6CHRNB2CHRNA4CHRNA7
SCHEMBL24618011 0.77 HDAC8 (0.61) HDAC8HDAC6CHRNB2CHRNA4CHRNA7
SCHEMBL13060381 0.77 HDAC8 (0.61) HDAC8HDAC6CHRNB2CHRNA4CHRNA7

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-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HDAC8 626/4885HDAC6 1048/4885CHRNB2 217/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HDAC8 710/4885HDAC6 1199/4885CHRNB2 299/4885

“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.