SCHEMBL14768978

SCHEMBL14768978

COc1ccc2c(c1O)C13CCNC(C2)C1CCC(=O)C3

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
OPRD1 P41143 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
MAPT P10636 2/20 0.45
MRGPRX2 Q96LB1 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC22A1 O15245 2/20 0.43
TSHR P16473 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL10222582 1.00 GAA (0.66) GAAOPRD1CYP3A4CYP2D6MAPT
SCHEMBL12588948 0.86 GAA (0.48) GAAOPRD1CYP3A4CYP2D6OPRM1
SCHEMBL2150392 0.86 GAA (0.48) GAAOPRD1CYP3A4CYP2D6MRGPRX2
SCHEMBL12006858 0.82 GAA (0.47) GAAOPRD1CYP3A4CYP2D6MAPT
SCHEMBL4127868 0.82 GAA (0.47) GAAOPRD1CYP3A4CYP2D6MAPT
SCHEMBL11263235 0.82 GAA (0.47) GAAOPRD1CYP3A4CYP2D6MAPT
SCHEMBL11263244 0.82 GAA (0.47) GAAOPRD1CYP3A4CYP2D6MAPT
SCHEMBL12013632 0.82 GAA (0.47) GAAOPRD1CYP3A4CYP2D6MAPT
SCHEMBL12960706 0.82 GAA (0.47) GAAOPRD1CYP3A4CYP2D6MAPT
SCHEMBL10994109 0.82 SLC22A1 (0.43) GAAOPRD1CYP3A4CYP2D6OPRM1

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-8624031-B2 Production of alkaloids without the isolation of intermediates MALLINCKRODT LLC (US) 2014-01-07 US disclosed
US-8624031-B2 Production of alkaloids without the isolation of intermediates MALLINCKRODT LLC (US) 2014-01-07 US disclosed
US-20130066080-A1 Production of Alkaloids without the Isolation of Intermediates MALLINCKRODT LLC (US) 2013-03-14 US disclosed
US-20130066080-A1 Production of Alkaloids without the Isolation of Intermediates MALLINCKRODT LLC (US) 2013-03-14 US disclosed
WO-2013036729-A1 PRODUCTION OF ALKALOIDS WITHOUT THE ISOLATION OF INTERMEDIATES MALLINCKRODT LLC (US) 2013-03-14 WO 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-20130066080-A1 Production of Alkaloids without the Isolation of Intermediates CIAPIN1, DHPS, PNMT GAA 2287/4885OPRD1 2374/4885CYP3A4 426/4885

“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.