SCHEMBL336196

SCHEMBL336196

CCN(CCN)C(C)c1ccc(OC)c(CC#N)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CXCR3 P49682 1/20 0.34
HTR2A P28223 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ACHE P22303 2/20 0.33
ADRA1A P35348 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
S1PR1 P21453 1/20 0.32
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL19737446 0.76 CYP1A2 (0.46) CYP1A2HTR2AACHEPDE4APDE4B
SCHEMBL336197 0.72 CYP1A2 (0.44) CYP1A2HTR2ATAAR1ACHEADRA1A
SCHEMBL334955 0.72 TRPM8 (0.52) CYP1A2
SCHEMBL334665 0.72 ALDH1A1 (0.48) CYP1A2PKM
SCHEMBL334241 0.72 ALOX5 (0.43) CYP1A2TAAR1ACHE
SCHEMBL29278112 0.71 ADRB2 (0.37) CYP1A2
SCHEMBL30762154 0.71 ADRB2 (0.37) CYP1A2
SCHEMBL10282516 0.70 S1PR1 (0.37) CYP1A2HTR2AACHES1PR1PKM
SCHEMBL335816 0.70 AOC3 (0.46) TAAR1ACHE
SCHEMBL334526 0.70 AOC3 (0.46) TAAR1ACHE

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 CYP1A2 1928/4885CXCR3 2600/4885HTR2A 3401/4885

“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.