SCHEMBL335068

SCHEMBL335068

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
OPRK1 P41145 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
ACHE P22303 4/20 0.36
BCHE P06276 2/20 0.36
FAAH O00519 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
ACP3 P15309 1/20 0.33
CXCR4 P61073 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYP26A1 O43174 1/20 0.32
S1PR1 P21453 1/20 0.32
MARK4 Q96L34 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
SCHEMBL335051 0.83 AOC3 (0.41) AOC3OPRK1TAAR1TRPM8
SCHEMBL334403 0.83 AOC3 (0.41) AOC3OPRK1TAAR1
SCHEMBL1132949 0.83 OPRK1 (0.53) OPRK1TAAR1ACHEKDM4ETSHR
SCHEMBL334856 0.82 GBA1 (0.36) OPRK1ACHEBCHEFAAHKDM4E
Hydrochloric Acid SCHEMBL30606596 0.82 AOC3 (0.40) AOC3OPRK1TAAR1TRPM8
Hydrochloric Acid SCHEMBL31500336 0.82 AOC3 (0.40) AOC3OPRK1TAAR1TRPM8
Hydrochloric Acid SCHEMBL26598986 0.82 AOC3 (0.40) AOC3OPRK1TAAR1TRPM8
Hydrochloric Acid SCHEMBL26598980 0.82 AOC3 (0.40) AOC3OPRK1TAAR1TRPM8
Hydrochloric Acid SCHEMBL26598981 0.82 AOC3 (0.40) AOC3OPRK1TAAR1TRPM8
SCHEMBL335260 0.82 HRH1 (0.45) AOC3TAAR1TSHR

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 4508/4885OPRK1 4818/4885TAAR1 4408/4885

“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.