SCHEMBL8034735

SCHEMBL8034735

CN1CCc2c(c3cc(F)ccc3n2Cc2ccccn2)C1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.83
HRH1 P35367 14/20 0.83
BCHE P06276 1/20 0.55

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
SCHEMBL12881966 0.91 HTR6 (1.00) HTR6HRH1
Hydrochloric Acid SCHEMBL21195012 0.90 HTR6 (0.98) HTR6HRH1
SCHEMBL13242116 0.88 HTR6 (0.82) HTR6HRH1BCHE
SCHEMBL8040964 0.87 HTR6 (0.82) HTR6HRH1
SCHEMBL8036723 0.85 HTR6 (0.89) HTR6HRH1BCHE
SCHEMBL4138181 0.83 HTR6 (0.81) HTR6HRH1BCHE
SCHEMBL8038660 0.81 HTR6 (0.82) HTR6HRH1BCHE
SCHEMBL8034671 0.81 HTR6 (0.80) HTR6HRH1
SCHEMBL3717750 0.81 HTR6 (0.69) HTR6HRH1
SCHEMBL8039564 0.80 HTR6 (0.71) HTR6HRH1BCHE

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 5 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
WO-2008123800-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES ALLA CHEM, LLC (US) 2008-10-16 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 HTR6 40/4885HRH1 19/4885BCHE 1686/4885

“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.