SCHEMBL3019964

SCHEMBL3019964

COc1cccc(CC(=O)N[C@]2(O)C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 4/20 0.58
OPRM1 P35372 17/20 0.52
OPRK1 P41145 15/20 0.52
OPRD1 P41143 14/20 0.51
SLC22A1 O15245 1/20 0.47
ADRA2A P08913 1/20 0.47
ARRB1 P49407 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
SCHEMBL3019720 0.92 MRGPRX2 (0.61) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
SCHEMBL3013997 0.88 MRGPRX2 (0.62) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
SCHEMBL15095527 0.83 OPRM1 (0.62) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
SCHEMBL13245922 0.83 OPRM1 (0.62) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
SCHEMBL4081399 0.81 MRGPRX2 (0.68) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
SCHEMBL3123600 0.78 MRGPRX2 (0.62) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
SCHEMBL6865984 0.77 MRGPRX2 (0.62) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
SCHEMBL5108293 0.77 MRGPRX2 (0.77) MRGPRX2OPRM1OPRK1OPRD1
SCHEMBL3132180 0.76 MRGPRX2 (0.63) MRGPRX2OPRM1OPRK1OPRD1SLC22A1
Methoxymethane SCHEMBL27466715 0.76 MRGPRX2 (0.94) MRGPRX2OPRM1OPRK1OPRD1SLC22A1

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 3/4885OPRK1 1/4885

“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.