SCHEMBL3017103

SCHEMBL3017103

CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@H]2[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 3/20 0.89
OPRM1 P35372 2/20 0.83
OPRD1 P41143 2/20 0.60
OPRK1 P41145 1/20 0.60

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
SCHEMBL2171816 1.00 MRGPRX2 (0.89) MRGPRX2OPRM1OPRD1OPRK1
SCHEMBL1261490 0.94 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1
SCHEMBL8409352 0.94 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1
SCHEMBL6753388 0.94 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine 3-Glucuronide SCHEMBL614298 0.92 MRGPRX2 (0.74) MRGPRX2OPRM1OPRD1OPRK1
Morphine 3-Glucuronide SCHEMBL3843209 0.92 MRGPRX2 (0.74) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL13245908 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL13268600 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL1743681 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL6754812 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758452-B1 METABOLICALLY STABLE ANALGESICS AND PAIN MEDICATIONS HUMAN BIOMOLECULAR RES INST (US) 2017-01-25 EP disclosed
US-8481501-B2 Synthesis of metabolically stable analgesics, pain medications and other agents HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-07-09 US disclosed
US-20100190728-A1 Synthesis Of Metabolically Stable Analgesics, Pain Medications And Other Agents HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-07-29 US disclosed
EP-1758452-A4 SYNTHESIS OF METABOLICALLY STABLE ANALGESICS, PAIN MEDICATIONS AND OTHER AGENTS HUMAN BIOMOLECULAR RES INST (US) 2009-08-05 EP disclosed
EP-1758452-A1 SYNTHESIS OF METABOLICALLY STABLE ANALGESICS, PAIN MEDICATIONS AND OTHER AGENTS Human Biomolecular Research Institute (US) 2007-03-07 EP disclosed
WO-2005117589-A1 SYNTHESIS OF METABOLICALLY STABLE ANALGESICS, PAIN MEDICATIONS AND OTHER AGENTS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2005-12-15 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-20100190728-A1 Synthesis Of Metabolically Stable Analgesics, Pain Medications And Other Agents OPRK1, OPRL1, OPRM1 MRGPRX2 206/4885OPRM1 3/4885OPRD1 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.