SCHEMBL8034674

SCHEMBL8034674

c1ccc(Cn2c3c(c4ccccc42)CNCC3)nc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HTR6 P50406 6/20 0.50
HRH1 P35367 5/20 0.50
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CNR2 P34972 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCHR1 Q99705 1/20 0.40
RIPK3 Q9Y572 1/20 0.39

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
SCHEMBL12895007 0.93 HTR6 (0.48) HDAC1HDAC6HTR6HRH1CA1
SCHEMBL8038621 0.81 HDAC1 (0.64) HDAC1HDAC6HTR6HRH1CA1
SCHEMBL8025072 0.80 HDAC1 (0.69) HDAC1HDAC6HTR6CA1CA2
SCHEMBL8036741 0.78 HDAC1 (0.57) HDAC1HDAC6HTR6HRH1CA1
SCHEMBL17706692 0.78 HTR6 (0.68) HTR6HRH1
SCHEMBL8034511 0.78 HTR6 (0.70) HTR6HRH1HTR2AHTR2CMCHR1
SCHEMBL2357949 0.77 HDAC1 (0.55) HDAC1HDAC6HTR6CA1CA2
SCHEMBL30873508 0.77 HDAC1 (0.55) HDAC1HDAC6HTR6CA1CA2
SCHEMBL8040964 0.77 HTR6 (0.82) HDAC1HDAC6HTR6HRH1KDM4E
SCHEMBL3314982 0.76 CNR1 (0.65) HDAC1HDAC6CNR2

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-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
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 EP 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 HDAC1 1776/4885HDAC6 1530/4885HTR6 40/4885

“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.