SCHEMBL334716

SCHEMBL334716

CCN(CCN)[C@@H](C)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
UGT2B7 P16662 1/20 0.45
AOC3 Q16853 2/20 0.43
SLC6A2 P23975 8/20 0.40
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 8/20 0.40
CYP2D6 P10635 5/20 0.40
KCNH2 Q12809 5/20 0.40
CYP3A4 P08684 4/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL335260 0.80 HRH1 (0.45) AOC3SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12018209 0.80 SLC6A2 (0.41) UGT2B7AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL12018210 0.78 AOC3 (0.39) UGT2B7AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL1132324 0.77 SLC6A2 (0.40) MC4RMC5RMC3RSLC6A2SLC6A4
SCHEMBL23652625 0.77 TDP1 (0.45) SLC6A3CYP2D6CYP3A4MEN1CYP1A2
SCHEMBL335068 0.77 AOC3 (0.40) AOC3TSHR
SCHEMBL335816 0.77 AOC3 (0.46) AOC3SLC6A2SLC6A4TSHR
SCHEMBL334526 0.77 AOC3 (0.46) AOC3SLC6A2SLC6A4TSHR
SCHEMBL335051 0.76 AOC3 (0.41) AOC3SLC6A2SLC6A4
SCHEMBL1132949 0.76 OPRK1 (0.53) SLC6A3CYP3A4TSHRHIF1AHTR2A

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 MC4R 3259/4885MC5R 1864/4885MC3R 3637/4885

“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.