SCHEMBL8037147

SCHEMBL8037147

CN1CCCc2c(c3ccccc3n2Cc2ccncc2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.71
HTR6 P50406 5/20 0.71
CHRM2 P08172 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
CHRM1 P11229 1/20 0.70
DRD1 P21728 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRM1 P35372 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KCNH2 Q12809 1/20 0.70
ALDH1A1 P00352 2/20 0.68
GAA P10253 1/20 0.68
TSHR P16473 1/20 0.68
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
HDAC6 Q9UBN7 3/20 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
SCHEMBL4130866 0.93 HRH1 (0.82) HRH1HTR6CHRM2HTR1AADRA2A
SCHEMBL8034684 0.91 HRH1 (0.86) HRH1HTR6CHRM2HTR1AADRA2A
SCHEMBL8038611 0.90 CHRM2 (0.85) HRH1HTR6CHRM2HTR1AADRA2A
SCHEMBL8033028 0.87 HRH1 (0.72) HRH1HTR6CHRM2HTR1AADRA2A
SCHEMBL8023442 0.85 HRH1 (0.71) HRH1HTR6CHRM2HTR1AADRA2A
SCHEMBL8032901 0.84 HRH1 (0.72) HRH1HTR6CHRM2HTR1AADRA2A
SCHEMBL3623423 0.83 HRH1 (1.00) HRH1HTR6CHRM2HTR1AADRA2A
SCHEMBL8039564 0.82 HTR6 (0.71) HRH1HTR6CHRM2HTR1AADRA2A
Mebhydrolin SCHEMBL29802 0.82 ADRA2A (1.00) HRH1HTR6CHRM2HTR1AADRA2A
Mebhydrolin SCHEMBL29808874 0.82 ADRA2A (1.00) HRH1HTR6CHRM2HTR1AADRA2A

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 HRH1 19/4885HTR6 40/4885CHRM2 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.