SCHEMBL8033488

SCHEMBL8033488

COc1ccc(CCn2c3c(c4cc(F)ccc42)CN(C)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 1.00
HRH1 P35367 17/20 1.00
ADRA2A P08913 2/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
HTR7 P34969 2/20 0.64
ADRA1A P35348 2/20 0.64
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
DRD2 P14416 1/20 0.59

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
SCHEMBL8040987 0.94 HTR6 (0.88) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL8035210 0.91 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL8031143 0.88 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL1224355 0.88 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3715129 0.87 HTR6 (0.79) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13696219 0.87 HTR6 (0.87) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL4139227 0.87 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL8031098 0.85 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL12882032 0.85 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL8021887 0.85 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C

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 HTR6 40/4885HRH1 19/4885ADRA2A 11/4885

“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.