SCHEMBL8034684

SCHEMBL8034684

CN1CCCc2c(c3ccccc3n2CCc2ccncc2)C1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.86
HTR6 P50406 12/20 0.86
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAOA P21397 4/20 0.58
MAOB P27338 4/20 0.58
ADRA2A P08913 3/20 0.56
ADRA1A P35348 3/20 0.56
CHRM2 P08172 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56

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
SCHEMBL3623423 0.93 HRH1 (1.00) HRH1HTR6ALDH1A1KDM4EMAOA
SCHEMBL8037147 0.91 HRH1 (0.71) HRH1HTR6ALDH1A1KDM4EMAOA
SCHEMBL1225221 0.90 HRH1 (0.70) HRH1HTR6ALDH1A1KDM4EMAOA
SCHEMBL8033724 0.86 HRH1 (0.88) HRH1HTR6ADRA2AADRA1ADRD3
SCHEMBL12882113 0.85 HRH1 (0.88) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL4130866 0.83 HRH1 (0.82) HRH1HTR6ALDH1A1KDM4EMAOA
SCHEMBL8036791 0.82 HTR6 (0.87) HRH1HTR6ALDH1A1KDM4EMAOA
SCHEMBL13695998 0.82 HRH1 (0.77) HRH1HTR6ALDH1A1KDM4EMAOA
SCHEMBL3621165 0.82 HTR6 (0.81) HRH1HTR6ALDH1A1KDM4EMAOA
SCHEMBL4137553 0.82 HTR6 (0.80) HRH1HTR6ALDH1A1KDM4EMAOA

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 HRH1 19/4885HTR6 40/4885ALDH1A1 595/4885

“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.