SCHEMBL334958

SCHEMBL334958

CCN(CCN)[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PYCR1 P32322 1/20 0.42
HTR2A P28223 3/20 0.38
TAAR1 Q96RJ0 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
DRD1 P21728 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR2C P28335 1/20 0.33
SCN1A P35498 1/20 0.33

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
SCHEMBL335352 0.84 ALOX5 (0.42) ALOX5TAAR1MAOA
SCHEMBL334729 0.83 ROCK1 (0.39) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL335097 0.83 ADRB2 (0.42) HTR2ATAAR1CHRM2CHRM1SLC6A2
SCHEMBL335079 0.83 TAAR1 (0.42) ALOX5TAAR1LMNAALDH1A1
SCHEMBL335260 0.82 HRH1 (0.45) ALOX5HTR2ATAAR1SLC6A4SLC6A3
SCHEMBL334241 0.80 ALOX5 (0.43) ALOX5TAAR1SLC6A4CYP2D6ALDH1A1
SCHEMBL334298 0.79 SMN1; SMN2 (0.34) LMNACYP2D6
SCHEMBL334377 0.79 NQO1 (0.44) LMNAKDM4EALDH1A1
SCHEMBL335096 0.79 PDE2A (0.41) TAAR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL23652625 0.76 TDP1 (0.45) TAAR1DRD1SLC6A3LMNACYP2D6

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 ALOX5 2387/4885PYCR1 2603/4885HTR2A 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.