SCHEMBL4545443

SCHEMBL4545443

COCCOCOc1ccc2c3c1O[C@H]1[C@@H](C)C=CC4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.68
OPRK1 P41145 16/20 0.68
OPRD1 P41143 9/20 0.61
MRGPRX2 Q96LB1 2/20 0.61
ADRB1 P08588 1/20 0.61
PDE4D Q08499 1/20 0.61
PDE3A Q14432 1/20 0.61

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
SCHEMBL4545446 0.90 OPRM1 (0.75) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL4545444 0.86 OPRM1 (0.80) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL6865494 0.83 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL6865490 0.83 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8208118 0.80 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8208119 0.80 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8206819 0.79 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL8206821 0.79 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL8207923 0.79 OPRM1 (0.63) OPRM1OPRK1OPRD1
SCHEMBL12030890 0.79 OPRD1 (0.62) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173666-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2012-05-08 US disclosed
US-20100048602-A1 Oligomer-Opioid Agonist Conjugates NEKTAR THERAPEUTICS (US) 2010-02-25 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-20100048602-A1 Oligomer-Opioid Agonist Conjugates OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRK1 3/4885OPRD1 5/4885

“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.