SCHEMBL335243

SCHEMBL335243

CC(NCCN)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.42
PHGDH O43175 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
ACACB O00763 9/20 0.37
CASR P41180 2/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL335053 0.82 ALDH1A1 (0.47) RORCCASRCHRM2HTR1AADRA2A
SCHEMBL10243779 0.80 ACACB (0.44) RORCPHGDHACACBOPRM1LMNA
SCHEMBL11977005 0.76 HRH3 (0.52) RORCHRH3LMNA
SCHEMBL18575578 0.75 HTR1A (0.50) CASRCHRM2HTR1AADRA2AADORA3
SCHEMBL11984262 0.74 RORC (0.46) RORCHRH3LMNA
SCHEMBL19889769 0.73 RORC (0.44) RORCHRH3ACACBWDR91
SCHEMBL23707092 0.73 RORC (0.45) RORCPHGDHHRH3ACACBWDR91
SCHEMBL25059239 0.71 PHGDH (0.50) RORCPHGDHACACBWDR91
SCHEMBL24170697 0.71 RORC (0.47) RORCHRH3ACACBWDR91
SCHEMBL335144 0.71 ESR1 (0.45) CASRCHRM2HTR1AADRA2AADORA3

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 RORC 80/4885PHGDH 2686/4885HRH3 3143/4885

“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.