SCHEMBL335078

SCHEMBL335078

CCN(CCN)C(C)c1nccnc1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2D6 P10635 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNA5 P22460 1/20 0.30

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
SCHEMBL335843 0.80 CYP2D6 (0.36) CHRM1CYP2D6
SCHEMBL10244310 0.74 MTNR1A (0.33) CYP2D6
SCHEMBL1132792 0.74 CYP2D6 (0.40) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL334453 0.73 CXCR4 (0.38) CXCR4CHRM1CYP2D6KCNE1KCNA5
SCHEMBL334298 0.70 SMN1; SMN2 (0.34) CYP2D6KCNE1KCNA5
SCHEMBL336128 0.70 HTT (0.34)
SCHEMBL335352 0.68 ALOX5 (0.42) CXCR4
SCHEMBL1211331 0.67 LOXL2 (0.39) CXCR4CYP2D6KCNE1KCNA5
SCHEMBL335260 0.66 HRH1 (0.45) CYP2D6
SCHEMBL335056 0.66 KCNA5 (0.44) KCNA5

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 CXCR4 1537/4885CHRM2 3989/4885CHRM4 3787/4885

“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.