SCHEMBL16624837

SCHEMBL16624837

CCCC12c3c4ccc(O)c3OC1C(=O)CCC2(O)C(NCC1CC1)C4

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.51
OPRD1 P41143 6/20 0.51
OPRK1 P41145 5/20 0.51
CYP2D6 P10635 3/20 0.50
CHRNA7 P36544 1/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL13507183 0.93 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL20170852 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL14263104 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL7987517 0.83 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL13977786 0.83 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL15214352 0.83 OPRK1 (0.53) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL13013393 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16747749 0.83 OPRK1 (0.53) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL14996104 0.83 OPRK1 (0.53) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16509918 0.82 OPRM1 (0.51) OPRM1OPRD1OPRK1CYP2D6CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9415044-B2 Process for the preparation of quaternary N-alkyl morphinan alkaloid salts MALLINCKRODT LLC (US) 2016-08-16 US disclosed
EP-2137189-B1 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS MALLINCKRODT LLC (US) 2015-05-06 EP disclosed
US-20150099773-A1 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS VTESSE LLC 2015-04-09 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-20150099773-A1 PROCESS FOR THE PREPARATION OF QUATERNARY N-ALKYL MORPHINAN ALKALOID SALTS RAN, RANBP1, NCLN OPRM1 60/4885OPRD1 406/4885OPRK1 527/4885

“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.