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Sugi Predict / Compounds / SCHEMBL4122808

SCHEMBL4122808

SCHEMBL4122808

COc1cc(Br)c2c(c1O)[C@@]13CCN(C)C(C2)C1CC(OC)C(=O)C3

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ MRGPRX2 Q96LB1 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ OPRM1 P35372 11/20 0.38
▸ OPRD1 P41143 10/20 0.38
▸ OPRK1 P41145 7/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL13301282 1.00 GAA (0.46) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL13321578 0.87 OPRM1 (0.39) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL13301276 0.82 GAA (0.32) GAACYP3A4MAPTCYP2D6LMNA
SCHEMBL4114954 0.82 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL5918336 0.82 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL14242321 0.82 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL14242320 0.82 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL12006853 0.82 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL5918357 0.82 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL29225417 0.82 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461337-B2 Sinomenine derivatives and processes for their synthesis MALLINCKRODT LLC (US) 2013-06-11 — — US disclosed
US-8461337-B2 Sinomenine derivatives and processes for their synthesis MALLINCKRODT LLC (US) 2013-06-11 — — US disclosed
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
WO-2009078988-A1 SINOMENINE DERIVATIVES AND PROCESSES FOR THEIR SYNTHESIS MALLINCKRODT INC. (US) 2009-06-25 — — WO disclosed
US-20090156816-A1 Sinomenine derivatives and processes for their synthesis OCERA THERAPEUTICS LLC 2009-06-18 — — US disclosed
US-20090156816-A1 Sinomenine derivatives and processes for their synthesis OCERA THERAPEUTICS LLC 2009-06-18 — — 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 (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-20120116086-A1 Sinomenine Derivatives and Processes for their Synthesis SMS, SARM1, XPO5 GAA 2857/4885MRGPRX2 1623/4885KDM4E 2978/4885
US-20090156816-A1 Sinomenine derivatives and processes for their synthesis SMS, SARM1, XPO5 GAA 2857/4885MRGPRX2 1623/4885KDM4E 2978/4885

“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.