SCHEMBL807534

SCHEMBL807534

CC(C)c1c(Cl)cc(C2CNC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
SLC6A2 P23975 10/20 0.42
SLC6A3 Q01959 9/20 0.42
SLC6A4 P31645 7/20 0.42
CYP2D6 P10635 6/20 0.42
KCNH2 Q12809 6/20 0.41
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR2C P28335 3/20 0.33
HTR3A P46098 1/20 0.32

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
SCHEMBL807516 0.81 TLR9 (0.36) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL11981471 0.79 CHRNB2 (0.47) CHRNB2CHRNA4SLC6A2SLC6A3SLC6A4
SCHEMBL21872210 0.76 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL25262561 0.71 SLC6A2 (0.68) CHRNB2CHRNA4SLC6A2SLC6A3SLC6A4
SCHEMBL21026523 0.71 CHRNB2 (0.46) CHRNB2CHRNA4SLC6A2SLC6A3SLC6A4
SCHEMBL11981506 0.71 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL25268867 0.69 SLC6A2 (0.66) CHRNB2CHRNA4SLC6A2SLC6A3SLC6A4
SCHEMBL31168012 0.68 CHRNB2 (0.43) CHRNB2CHRNA4SLC6A2SLC6A3SLC6A4
SCHEMBL27042964 0.67 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL21872041 0.66 APP (0.36) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2

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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 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 (2 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CHRNB2 252/4885CHRNA4 440/4885SLC6A2 595/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CHRNB2 252/4885CHRNA4 440/4885SLC6A2 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.