SCHEMBL8034705

SCHEMBL8034705

Cc1ccc2c(c1)[C@H]1CN(C)CCC[C@@H]1N2CCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
HRH3 Q9Y5N1 2/20 0.46
HTR6 P50406 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
HRH1 P35367 1/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL10127937 1.00 GAA (0.49) GAAAPOBEC3AAPOBEC3GHRH3HTR6
SCHEMBL10127847 1.00 GAA (0.49) GAAAPOBEC3AAPOBEC3GHRH3HTR6
SCHEMBL13368705 0.95 GAA (0.55) GAAAPOBEC3AAPOBEC3GHTR6ALDH1A1
SCHEMBL618052 0.91 GAA (0.50) GAAAPOBEC3AAPOBEC3GHRH3HTR6
SCHEMBL618053 0.91 GAA (0.50) GAAAPOBEC3AAPOBEC3GHRH3HTR6
SCHEMBL618054 0.91 GAA (0.50) GAAAPOBEC3AAPOBEC3GHRH3HTR6
SCHEMBL13862120 0.84 GAA (0.44) GAAAPOBEC3AAPOBEC3GHRH3HTR6
SCHEMBL10128040 0.84 GAA (0.56) GAAAPOBEC3AAPOBEC3GHTR6ALDH1A1
SCHEMBL8036541 0.84 GAA (0.56) GAAAPOBEC3AAPOBEC3GHTR6ALDH1A1
SCHEMBL10127837 0.83 GAA (0.42) GAAAPOBEC3AAPOBEC3GHRH3ALDH1A1

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 GAA 3994/4885APOBEC3A 3182/4885APOBEC3G 3579/4885

“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.