SCHEMBL335997

SCHEMBL335997

CCN(CCN)C(C)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
CXCR4 P61073 3/20 0.36
MC4R P32245 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP2D6 P10635 4/20 0.35
ADRA2A P08913 3/20 0.35
ADRA2B P18089 3/20 0.35
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2C19 P33261 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL334855 0.83 MC4R (0.38) MC4RTAAR1ADRA2AADRA2BHTR2A
SCHEMBL1133159 0.82 PGR (0.36) TAAR1CYP2D6ADRA2AADRA2BHTR2A
SCHEMBL1132481 0.82 TSHR (0.36) TAAR1CYP2D6ADRA2AADRA2BHTR2A
SCHEMBL1132754 0.81 TAAR1 (0.41) MC4RTAAR1ADRA2BNPSR1KDM4E
SCHEMBL334999 0.81 TAAR1 (0.41) MC4RTAAR1ADRA2BNPSR1KDM4E
SCHEMBL1132976 0.80 ALDH1A1 (0.42) ADRA2AADRA2BHTR2ASLC6A2HTR2C
SCHEMBL334284 0.80 MC4R (0.41) CXCR4MC4RSLC6A2HTR2CSLC6A4
SCHEMBL335812 0.80 AOC3 (0.41) CYP2C19CYP2C9
SCHEMBL335260 0.77 HRH1 (0.45) TAAR1CYP2D6ADRA2AADRA2BHTR2A
Hydrochloric Acid SCHEMBL29278126 0.77 ALDH1A1 (0.34) ADRA2AADRA2BHTR2AHRH1KCNH2

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 ESR1 4268/4885CXCR4 1537/4885MC4R 3259/4885

“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.