SCHEMBL8036810

SCHEMBL8036810

CN1CCc2c(c3cc(C(=O)O)ccc3n2Cc2cccnc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.61
HTR6 P50406 5/20 0.61
HDAC6 Q9UBN7 10/20 0.55
HDAC1 Q13547 7/20 0.55
ADRA2A P08913 2/20 0.54
ADRA1A P35348 2/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
HDAC8 Q9BY41 2/20 0.52

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
SCHEMBL14067857 0.92 HRH1 (0.61) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL4144359 0.89 ADRA2A (0.69) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL4138899 0.88 HRH1 (0.59) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL8034738 0.84 HRH1 (0.83) HRH1HTR6ADRA2AADRA1ACHRM2
SCHEMBL4127989 0.82 HRH1 (0.83) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL4137103 0.82 HTR6 (0.84) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL14067859 0.82 HDAC1 (0.52) HRH1HTR6HDAC6HDAC1ALDH1A1
SCHEMBL12868791 0.81 HRH1 (0.73) HRH1HTR6HDAC6HDAC1ADRA2A
SCHEMBL8038656 0.81 HRH1 (0.72) HRH1HTR6ADRA2AADRA1ADRD2
SCHEMBL8033025 0.80 HRH1 (0.74) HRH1HTR6ADRA2AADRA1ACHRM2

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-2008115098-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND THE USE THEREOF ALLA CHEM, LLC (US) 2008-09-25 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 40/4885HDAC6 1530/4885

“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.