SCHEMBL13656808

SCHEMBL13656808

COc1ccc(C)c2c1O[C@H]1[C@@H](O)C=C[C@H]3[C@@H](C)N(C)CC[C@@]231

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.67
OPRD1 P41143 7/20 0.67
OPRK1 P41145 6/20 0.67
MRGPRX2 Q96LB1 5/20 0.67
ADRB1 P08588 1/20 0.67
PDE4D Q08499 1/20 0.67
PDE3A Q14432 1/20 0.67
SLC18A3 Q16572 1/20 0.54
MAPT P10636 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.51
SLC22A1 O15245 1/20 0.49
ADRA2A P08913 1/20 0.49
ARRB1 P49407 1/20 0.49

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
SCHEMBL13668804 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL18867882 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL14463456 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL14154485 0.91 OPRM1 (0.55) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL13151540 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL19880922 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL18867761 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL12283963 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL14501896 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL22971571 0.83 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2ADRB1

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
US-11560578-B2 Neopinone isomerase and methods of using ANTHEIA, INC. (US) 2023-01-24 US disclosed
US-20200291438-A1 NEOPINONE ISOMERASE AND METHODS OF USING HERCULES CAPITAL, INC., AS AGENT 2020-09-17 US disclosed
US-20190209551-A1 ORAL DOSAGE FORMS FOR OXYGEN-CONTAINING ACTIVE AGENTS AND OXYL-CONTAINING POLYMER SPRIASO LLC (US) 2019-07-11 US disclosed
US-20150182462-A1 Opioid-Containing Oral Pharmaceutical Compositions and Methods UPSHER-SMITH LABORATORIES, INC. 2015-07-02 US disclosed
WO-2009121018-A2 OPIOID-NORNICOTINE CODRUGS FOR PAIN MANAGEMENT UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2009-10-01 WO disclosed
US-20080176885-A1 Improved Pharmacokinetics; side effects reduction; codrugs are covalently bound by a linker that is capable of cleavage in the body; analgesics UNIVERSITY OF KENTUCKY (US) 2008-07-24 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 (3 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-20150182462-A1 Opioid-Containing Oral Pharmaceutical Compositions and Methods OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRD1 4/4885OPRK1 1/4885
US-20080176885-A1 Improved Pharmacokinetics; side effects reduction; codrugs are covalently bound by a linker that is capable of cleavage in the body; analgesics OPRK1, CNR1, CNR2 OPRM1 6/4885OPRD1 7/4885OPRK1 1/4885
US-20190209551-A1 ORAL DOSAGE FORMS FOR OXYGEN-CONTAINING ACTIVE AGENTS AND OXYL-CONTAINING POLYMER OGFR, OPRL1, OGFRL1 OPRM1 4/4885OPRD1 6/4885OPRK1 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.