SCHEMBL3368057

SCHEMBL3368057

COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.80
KMT2A Q03164 3/20 0.80
CYP2C19 P33261 3/20 0.68
KDM4E B2RXH2 2/20 0.68
CYP3A4 P08684 2/20 0.68
TSHR P16473 1/20 0.68
MEN1 O00255 2/20 0.68
F3 P13726 4/20 0.54
DRD1 P21728 3/20 0.54
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 2/20 0.46
BCHE P06276 1/20 0.44
MAPT P10636 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42

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
Allocryptopine SCHEMBL29568468 0.89 CYP2D6 (1.00) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
Allocryptopine SCHEMBL673252 0.89 CYP2D6 (1.00) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
Allocryptopine SCHEMBL30477770 0.89 CYP2D6 (1.00) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL9882661 0.84 CYP2D6 (0.71) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL11891038 0.82 CYP2D6 (0.77) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL16970984 0.82 CYP2D6 (0.84) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL178013 0.81 CYP2D6 (1.00) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL29356135 0.81 CYP2D6 (1.00) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL178039 0.81 KMT2A (1.00) CYP2D6KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL29419477 0.81 KMT2A (1.00) CYP2D6KMT2ACYP2C19KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME ELEONOR (BE) 2023-06-08 US claimed
EP-4135666-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME Eleonor (BE) 2023-02-22 EP claimed
WO-2021209623-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME ELEONOR SPRL (BE) 2021-10-21 WO claimed
EP-3672575-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND ITS PRODUCTION PROCESS Eleonor SPRL (BE) 2020-07-01 EP claimed
WO-2019038430-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND ITS PRODUCTION PROCESS ELEONOR SPRL (BE) 2019-02-28 WO claimed
US-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME ELEONOR (BE) 2023-06-08 US disclosed
EP-4135666-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME Eleonor (BE) 2023-02-22 EP disclosed
WO-2021209623-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME ELEONOR SPRL (BE) 2021-10-21 WO disclosed
EP-3672575-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND ITS PRODUCTION PROCESS Eleonor SPRL (BE) 2020-07-01 EP disclosed
WO-2019038430-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND ITS PRODUCTION PROCESS ELEONOR SPRL (BE) 2019-02-28 WO disclosed
EP-1644012-B1 QUATERNARY CHELIDONINE AND ALKALOID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS NOWICKY WASSILI (AT) 2010-06-02 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 (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-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME MANBA, CROCC, MAN2A1 CYP2D6 2517/4885KMT2A 4434/4885CYP2C19 3913/4885

“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.