SCHEMBL334407

SCHEMBL334407

CC(NCCN)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.50
ADRA1A P35348 3/20 0.49
ADRB1 P08588 2/20 0.49
HTR2B P41595 2/20 0.49
MIF P14174 1/20 0.49
HTR2A P28223 1/20 0.49
HIF1A Q16665 4/20 0.46
DRD1 P21728 3/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB3 P13945 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL335330 1.00 OPRK1 (0.50) OPRK1ADRA1AADRB1HTR2BMIF
SCHEMBL18575542 0.88 CASR (0.48) OPRK1ADRA1AHTR2BHTR2ADRD1
SCHEMBL10282520 0.83 HIF1A (0.54) OPRK1ADRA1AADRB1HTR2BMIF
SCHEMBL10282560 0.83 HIF1A (0.54) OPRK1ADRA1AADRB1HTR2BMIF
SCHEMBL29291394 0.81 OPRK1 (0.54) OPRK1ADRA1AADRB1HTR2BMIF
SCHEMBL15131066 0.81 DRD3 (0.70) OPRK1ADRA1AADRB1HTR2BHTR2A
SCHEMBL10243943 0.81 HIF1A (0.56) OPRK1ADRA1AADRB1HTR2BMIF
SCHEMBL10244151 0.81 HIF1A (0.56) OPRK1ADRA1AADRB1HTR2BMIF
SCHEMBL9004208 0.80 CASR (0.42) OPRK1ADRA1AADRB1HTR2BHTR2A
SCHEMBL335144 0.79 ESR1 (0.45) OPRK1ADRA1AADRB1HTR2BHIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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 (2 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 OPRK1 4830/4885ADRA1A 4051/4885ADRB1 4283/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 OPRK1 4818/4885ADRA1A 3144/4885ADRB1 3011/4885

“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.