SCHEMBL12895007

SCHEMBL12895007

c1ccc(Cn2c3c(c4ccccc42)CNCCC3)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
HRH1 P35367 2/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MCHR1 Q99705 1/20 0.47
CNR2 P34972 1/20 0.42
ALB P02768 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8034674 0.93 HDAC1 (0.54) HTR6HRH1CA1CA2HDAC1
SCHEMBL8037399 0.82 CA1 (0.59) HTR6HRH1CA1CA2HDAC1
SCHEMBL8038616 0.81 CA1 (0.65) HTR6CA1CA2HDAC1HDAC6
SCHEMBL8023447 0.79 CA1 (0.52) HTR6HRH1CA1CA2HDAC1
SCHEMBL14216563 0.79 HTR6 (0.67) HTR6HRH1MCHR1
SCHEMBL8039564 0.78 HTR6 (0.71) HTR6HRH1BCHE
SCHEMBL8040964 0.75 HTR6 (0.82) HTR6HRH1HDAC1HDAC6KDM4E
SCHEMBL8038621 0.74 HDAC1 (0.64) HTR6HRH1CA1CA2HDAC1
SCHEMBL8025072 0.73 HDAC1 (0.69) HTR6CA1CA2HDAC1HDAC6
SCHEMBL8036741 0.71 HDAC1 (0.57) HTR6HRH1CA1CA2HDAC1

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 2 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
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

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 19/4885CA1 2982/4885

“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.