SCHEMBL335843

SCHEMBL335843

CCN(CCN)C(C)c1nccnc1OC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.36
HRH1 P35367 4/20 0.36
KCNH2 Q12809 4/20 0.36
CHRM1 P11229 1/20 0.36
HRH2 P25021 1/20 0.34

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
SCHEMBL335078 0.80 CXCR4 (0.32) CYP2D6CHRM1
SCHEMBL1132792 0.79 CYP2D6 (0.40) CYP2D6HRH1KCNH2CHRM1
SCHEMBL1132606 0.79 CYP2D6 (0.40) CYP2D6HRH1KCNH2
SCHEMBL10243141 0.78 MTNR1A (0.34) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL334298 0.73 SMN1; SMN2 (0.34) CYP2D6
SCHEMBL334241 0.71 ALOX5 (0.43) CYP2D6
SCHEMBL334453 0.70 CXCR4 (0.38) CYP2D6HRH1KCNH2CHRM1
SCHEMBL424900 0.69 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL30520555 0.69 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL1132541 0.68 CYP1A2 (0.36) CYP2D6

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 CYP2D6 1574/4885HRH1 1680/4885KCNH2 2875/4885

“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.