SCHEMBL335812

SCHEMBL335812

CCN(CCN)[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL27628753 0.87 ALDH1A1 (0.47) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL335997 0.80 ESR1 (0.36) CYP2C9CYP2C19
SCHEMBL334855 0.80 MC4R (0.38) AOC3
SCHEMBL1133159 0.78 PGR (0.36) AOC3CYP2C19
SCHEMBL1132481 0.78 TSHR (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1133167 0.77 HTR2C (0.38) ALDH1A1CYP1A2CYP2C9
SCHEMBL1132754 0.77 TAAR1 (0.41) AOC3ALDH1A1
SCHEMBL334999 0.77 TAAR1 (0.41) AOC3ALDH1A1
SCHEMBL1132864 0.76 IDO1 (0.37) ALDH1A1
SCHEMBL334284 0.76 MC4R (0.41)

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 4508/4885ALDH1A1 1939/4885CYP1A2 1928/4885

“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.