SCHEMBL334403

SCHEMBL334403

CCN(CCN)C(C)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TAAR1 Q96RJ0 3/20 0.38
OPRK1 P41145 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SLC7A5 Q01650 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL335068 0.83 AOC3 (0.40) AOC3TAAR1OPRK1
SCHEMBL335051 0.82 AOC3 (0.41) AOC3SLC6A2SLC6A4TAAR1OPRK1
SCHEMBL1132949 0.82 OPRK1 (0.53) TAAR1OPRK1OPRM1OPRD1
SCHEMBL335015 0.81 PNMT (0.49) SLC6A2SLC6A4TAAR1OPRK1IDO1
SCHEMBL334729 0.81 ROCK1 (0.39) AOC3SLC6A2SLC6A4TAAR1IDO1
Hydrochloric Acid SCHEMBL31500336 0.81 AOC3 (0.40) AOC3SLC6A2SLC6A4TAAR1OPRK1
SCHEMBL334856 0.81 GBA1 (0.36) SLC6A2SLC6A4OPRK1
Hydrochloric Acid SCHEMBL30606596 0.81 AOC3 (0.40) AOC3SLC6A2SLC6A4TAAR1OPRK1
Hydrochloric Acid SCHEMBL26598986 0.81 AOC3 (0.40) AOC3SLC6A2SLC6A4TAAR1OPRK1
Hydrochloric Acid SCHEMBL26598980 0.81 AOC3 (0.40) AOC3SLC6A2SLC6A4TAAR1OPRK1

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 AOC3 4508/4885SLC6A2 4677/4885SLC6A4 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.