SCHEMBL615515

SCHEMBL615515

COC(C)N(C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRK1 P41145 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58
TSHR P16473 4/20 0.50
ALDH1A1 P00352 1/20 0.50
AOC3 Q16853 1/20 0.47
HPGD P15428 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL11270890 0.82 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5564359 0.81 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL616041 0.81 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL530326 0.79 ADRA2B (0.67) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5569486 0.78 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL10768255 0.78 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5569488 0.78 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL15003030 0.78 ADRA2B (0.71) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL615300 0.77 BCHE (0.48) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL6686136 0.77 HTR2A (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY ADRA2B 3804/4885ADRA2C 2577/4885SLC6A2 3568/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY ADRA2B 3804/4885ADRA2C 2577/4885SLC6A2 3568/4885

“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.