SCHEMBL16015653

SCHEMBL16015653

CCC[C@@]12c3c4ccc(O)c3OC1C(=O)CCC2(O)C(N(C)C)C4

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.51
OPRD1 P41143 5/20 0.51
OPRK1 P41145 4/20 0.51
CYP2D6 P10635 2/20 0.47
CHRNA7 P36544 1/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL18714714 0.89 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16015617 0.89 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16624831 0.89 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL15237171 0.89 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL15780063 0.89 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL13013393 0.89 OPRM1 (0.53) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16198895 0.88 OPRM1 (0.50) OPRM1OPRD1OPRK1CYP2D6
SCHEMBL16015629 0.88 OPRM1 (0.50) OPRM1OPRD1OPRK1CYP2D6
SCHEMBL16509918 0.88 OPRM1 (0.51) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16015640 0.87 OPRM1 (0.53) OPRM1OPRD1OPRK1CYP2D6

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-9527858-B2 Compounds and compositions for use in phototherapy and in treatment of ocular neovascular disease and cancers MALLINCKRODT LLC (US) 2016-12-27 US disclosed
US-20140370006-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN PHOTOTHERAPY AND IN TREATMENT OF OCULAR NEOVASCULAR DISEASE AND CANCERS SpecGx LLC 2014-12-18 US disclosed
US-8829020-B2 Compounds and compositions for use in phototherapy and in treatment of ocular neovascular disease and cancers MALLINCKRODT LLC (US) 2014-09-09 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-20140370006-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN PHOTOTHERAPY AND IN TREATMENT OF OCULAR NEOVASCULAR DISEASE AND CANCERS VEGFA, OPRL1, OGFR OPRM1 5/4885OPRD1 9/4885OPRK1 4/4885

“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.