SCHEMBL15214352

SCHEMBL15214352

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.53
OPRM1 P35372 4/20 0.53
OPRD1 P41143 4/20 0.53
CYP2D6 P10635 5/20 0.52
CHRNA7 P36544 1/20 0.52
CYP1A2 P05177 1/20 0.52
PKM P14618 1/20 0.52
CYBB P04839 2/20 0.51
NFKB1 P19838 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL16747749 1.00 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL14996104 1.00 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL21443742 0.91 OPRK1 (0.55) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL13013393 0.89 OPRM1 (0.53) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL18874426 0.89 OPRK1 (0.51) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL16711062 0.88 OPRK1 (0.50) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL16743664 0.87 OPRM1 (0.56) OPRK1OPRM1OPRD1CYP2D6LMNA
SCHEMBL15732206 0.87 OPRM1 (0.56) OPRK1OPRM1OPRD1CYP2D6LMNA
SCHEMBL16015653 0.87 OPRM1 (0.51) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL15732207 0.86 OPRK1 (0.39) OPRK1OPRM1OPRD1CYP2D6CHRNA7

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-20150164886-A9 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts MALLINCKRODT INC. (US) 2015-06-18 US disclosed
US-9040726-B2 Process for the preparation of quaternary N-alkyl morphinan alkaloid salts MALLINCKRODT LLC (US) 2015-05-26 US disclosed
US-20140323426-A1 USE OF OPIOID ANTAGONISTS TO ATTENUATE ENDOTHELIAL CELL PROLIFERATION AND MIGRATION THE UNIVERSITY OF CHICAGO 2014-10-30 US disclosed
US-8524731-B2 Angiogenesis inhibitors; anti-VEGF monoclonal antibody THE UNIVERSITY OF CHICAGO (US) 2013-09-03 US disclosed
US-8518962-B2 Use of opioid antagonists THE UNIVERSITY OF CHICAGO (US) 2013-08-27 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-20140323426-A1 USE OF OPIOID ANTAGONISTS TO ATTENUATE ENDOTHELIAL CELL PROLIFERATION AND MIGRATION OGFR, OPRK1, OPRL1 OPRK1 2/4885OPRM1 4/4885OPRD1 5/4885
US-20150164886-A9 Process for the Preparation of Quaternary N-Alkyl Morphinan Alkaloid Salts RAN, RANBP1, NCLN OPRK1 527/4885OPRM1 60/4885OPRD1 406/4885

“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.