SCHEMBL4127868

SCHEMBL4127868

COc1ccc2c(c1O)[C@@]13CCNC(C2)C1CC(OC)C(=O)C3

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.44
MRGPRX2 Q96LB1 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRD1 P41143 2/20 0.42
SLC22A1 O15245 1/20 0.39
TSHR P16473 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL12960706 1.00 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL12006858 1.00 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL12013632 1.00 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL11263235 0.90 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL11263244 0.90 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL12929674 0.89 SLC22A1 (0.37) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL13321579 0.86 SLC22A1 (0.35) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL14768978 0.82 GAA (0.66) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL10222582 0.82 GAA (0.66) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL12646217 0.81 OPRM1 (0.36) MAPTMRGPRX2CYP3A4CYP2D6OPRD1

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-20120116086-A1 Sinomenine Derivatives and Processes for their Synthesis MALLINCKRODT LLC (US) 2012-05-10 US disclosed
US-20120116086-A1 Sinomenine Derivatives and Processes for their Synthesis MALLINCKRODT LLC (US) 2012-05-10 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-20120116086-A1 Sinomenine Derivatives and Processes for their Synthesis SMS, SARM1, XPO5 GAA 2857/4885MAPT 1535/4885MRGPRX2 1623/4885

“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.