SCHEMBL12373442

SCHEMBL12373442

OB(O)c1ccccc1CN(Cc1ccccc1B(O)O)Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 3/20 0.56
LMNA P02545 4/20 0.46
SLC6A2 P23975 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTT P42858 2/20 0.46
NR1I2 O75469 2/20 0.46
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 0.46
DRD2 P14416 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
EBP Q15125 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 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
SCHEMBL17013840 0.92 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL15692276 0.91 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL17013843 0.91 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL20362787 0.89 CYP2D6 (0.74) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL17013846 0.88 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL7915221 0.84 CYP2D6 (0.69) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL1133300 0.77 LIPG (0.52) CYP2D6CYP1A2CYP2C19LMNAHTT
SCHEMBL29592212 0.77 LIPG (0.52) CYP2D6CYP1A2CYP2C19LMNAHTT
SCHEMBL3245817 0.77 CYP2D6 (0.66) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL27603918 0.77 CYP2D6 (0.66) CYP2D6CYP1A2CYP2C19LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 US 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-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 CYP2D6 721/4885CYP1A2 1046/4885CYP2C19 1347/4885

“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.