SCHEMBL335097

SCHEMBL335097

CCN(CCN)[C@@H](C)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
AOC3 Q16853 3/20 0.38
SLC6A2 P23975 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 3/20 0.33
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
LMNA P02545 2/20 0.33
THPO P40225 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL335352 0.84 ALOX5 (0.42) TAAR1TSHRCYP1A2
SCHEMBL335079 0.83 TAAR1 (0.42) TAAR1ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL334729 0.83 ROCK1 (0.39) SLC6A3SLC6A4AOC3SLC6A2TAAR1
SCHEMBL334958 0.83 ALOX5 (0.44) SLC6A3SLC6A4SLC6A2TAAR1ALDH1A1
SCHEMBL335260 0.82 HRH1 (0.45) SLC6A3SLC6A4AOC3TAAR1CYP2C9
SCHEMBL335051 0.81 AOC3 (0.41) SLC6A4AOC3SLC6A2TAAR1
SCHEMBL334241 0.80 ALOX5 (0.43) SLC6A4AOC3TAAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL31500336 0.80 AOC3 (0.40) SLC6A4AOC3SLC6A2TAAR1
Hydrochloric Acid SCHEMBL30606596 0.80 AOC3 (0.40) SLC6A4AOC3SLC6A2TAAR1
Hydrochloric Acid SCHEMBL26598980 0.80 AOC3 (0.40) SLC6A4AOC3SLC6A2TAAR1

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ADRB2 4378/4885SLC6A3 3933/4885SLC6A4 4401/4885

“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.