SCHEMBL334855

SCHEMBL334855

CCN(CCN)[C@@H](C)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 7/20 0.38
AOC3 Q16853 1/20 0.34
CYP3A4 P08684 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL335997 0.83 ESR1 (0.36) MC4RCYP3A4PGRADRA2AADRA2B
SCHEMBL334284 0.83 MC4R (0.41) MC4RIDO1TDO2
SCHEMBL1132481 0.82 TSHR (0.36) CYP3A4IDO1TDO2PGRADRA2A
SCHEMBL1133159 0.82 PGR (0.36) AOC3PGRADRA2AADRA2BHTR2A
SCHEMBL334999 0.81 TAAR1 (0.41) MC4RAOC3IDO1TDO2ADRA2B
SCHEMBL1132754 0.81 TAAR1 (0.41) MC4RAOC3IDO1TDO2ADRA2B
SCHEMBL1132976 0.80 ALDH1A1 (0.42) ADRA2AADRA2BHTR2AKDM4E
SCHEMBL335812 0.80 AOC3 (0.41) AOC3
SCHEMBL335260 0.77 HRH1 (0.45) AOC3CYP3A4PGRADRA2AADRA2B
Hydrochloric Acid SCHEMBL29278126 0.77 ALDH1A1 (0.34) PGRADRA2AADRA2BHTR2AHRH1

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 3259/4885AOC3 4508/4885CYP3A4 1107/4885

“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.