SCHEMBL8040960

SCHEMBL8040960

CCOC(=O)N1CCCc2c(c3ccccc3n2Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.62
HDAC1 Q13547 8/20 0.62
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
HDAC10 Q969S8 6/20 0.55
HDAC8 Q9BY41 4/20 0.55
MEN1 O00255 1/20 0.53

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
SCHEMBL8039548 0.94 HDAC6 (0.69) HDAC6HDAC1CHRM2HTR1AADRA2A
SCHEMBL8035252 0.92 HDAC6 (0.54) HDAC6HDAC1CHRM2HTR1AADRA2A
SCHEMBL8033155 0.89 HRH1 (0.52) HDAC6HDAC1CHRM2HTR1AADRA2A
SCHEMBL8041005 0.85 HDAC6 (0.60) HDAC6HDAC1CHRM2HTR1AADRA2A
SCHEMBL12882445 0.85 KDM4E (0.51) HDAC6HDAC1ALDH1A1HDAC10LMNA
SCHEMBL8034952 0.83 HDAC6 (0.57) HDAC6HDAC1CHRM2HTR1AADRA2A
SCHEMBL23148492 0.82 PTGDR2 (0.59) HDAC6HDAC1HDAC10MEN1KMT2A
SCHEMBL2087562 0.81 PTGDR2 (0.75) HDAC6HDAC1MEN1KMT2AAKR1B10
SCHEMBL4137803 0.81 HDAC6 (0.60) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL12882387 0.79 HDAC6 (0.58) HDAC6HDAC1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
WO-2009082268-A2 LIGANDS OF α-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF ALLA CHEM, LLC (US) 2009-07-02 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-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 HDAC6 1530/4885HDAC1 1776/4885CHRM2 26/4885

“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.