SCHEMBL335015

SCHEMBL335015

CCN(CCN)[C@@H](C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2C P28335 1/20 0.43
MC4R P32245 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
PRMT6 Q96LA8 2/20 0.39
PRMT8 Q9NR22 2/20 0.39
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT1 Q99873 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 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
SCHEMBL335414 0.85 S1PR1 (0.39) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL335096 0.82 PDE2A (0.41) MC4RTAAR1SLC6A4SLC6A2LMNA
SCHEMBL334403 0.81 AOC3 (0.41) TAAR1SLC6A4SLC6A2IDO1TDO2
SCHEMBL335068 0.80 AOC3 (0.40) TAAR1OPRK1
SCHEMBL1132949 0.78 OPRK1 (0.53) HTR2AHTR2BTAAR1LMNAADRA2C
SCHEMBL335051 0.78 AOC3 (0.41) PNMTTAAR1SLC6A4SLC6A2MAPT
Hydrochloric Acid SCHEMBL31500336 0.77 AOC3 (0.40) PNMTTAAR1SLC6A4SLC6A2CARM1
Hydrochloric Acid SCHEMBL30606596 0.77 AOC3 (0.40) PNMTTAAR1SLC6A4SLC6A2CARM1
SCHEMBL334856 0.77 GBA1 (0.36) SLC6A4SLC6A2OPRK1
Hydrochloric Acid SCHEMBL26598980 0.77 AOC3 (0.40) PNMTTAAR1SLC6A4SLC6A2CARM1

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 PNMT 4650/4885HTR2A 3401/4885HTR2B 1523/4885

“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.