Metazocine

Metazocine

SCHEMBL12049577

C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 1.00
▸ OPRD1 P41143 7/20 1.00
▸ OPRK1 P41145 7/20 1.00
▸ SIGMAR1 Q99720 7/20 1.00
▸ MRGPRX2 Q96LB1 2/20 1.00

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
Metazocine SCHEMBL12013732 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
Metazocine SCHEMBL1649365 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
Metazocine SCHEMBL29387774 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
Metazocine SCHEMBL21994208 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
Metazocine SCHEMBL13353229 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
Metazocine SCHEMBL26347 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL15866689 0.92 SIGMAR1 (0.85) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL12267534 0.84 SIGMAR1 (0.73) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL12324824 0.84 SIGMAR1 (0.73) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL12716235 0.84 SIGMAR1 (0.73) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095469-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2017-04-06 — — US disclosed
EP-2550253-B9 MORPHINANE DERIVATIVES CONTAINING A CARBOXAMIDE GROUP AS OPIOID RECEPTOR LIGANDS RENSSELAER POLYTECH INST (US) 2016-09-21 — — EP disclosed
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-09-08 — — US disclosed
US-9422301-B2 Carboxamide bioisosteres of opiates RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-08-23 — — US disclosed
EP-2190819-B1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECH INST (US) 2016-05-25 — — EP disclosed
EP-2550253-B1 MORPHINANE DERIVATIVES CONTAINING A CARBOXAMIDE GROUP AS OPIOID RECEPTOR LIGANDS RENSSELAER POLYTECH INST (US) 2016-04-27 — — EP disclosed
US-9156821-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-10-13 — — US disclosed
EP-2318372-B9 LARGE SUBSTITUENT, NON-PHENOLIC AMINE OPIOIDS RENSSELAER POLYTECH INST (US) 2015-05-06 — — EP disclosed
US-20150119416-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-04-30 — — US disclosed
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-02-19 — — US disclosed
US-8541586-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-09-24 — — US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 — — US disclosed
US-20120302594-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2012-11-29 — — US disclosed
US-8263807-B2 Quaternary opioid carboxamides RENSSELAER POLYTECHNIC INSTITUTE (US) 2012-09-11 — — US disclosed
US-20110306603-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-12-15 — — US disclosed
US-8026252-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-09-27 — — US disclosed
US-20110230511-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-09-22 — — US disclosed
US-20090247562-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-10-01 — — US disclosed
US-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-08-06 — — US disclosed
US-7265226-B2 Interact with opoid receptors; decreasing metabolic rates of the phenolic piperidines by amidation, imidation, or forming a formamide, a hydroxyamidine or a thioamide; analgesics, anticonvulsants, antitussive agents; diarrhea, drug addiction RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-09-04 — — 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 (10 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-20090247562-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20170095469-A1 QUATERNARY OPIOID CARBOXAMIDES OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRM1, OPRK1, SIGMAR1 OPRM1 1/4885OPRD1 4/4885OPRK1 2/4885
US-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20110306603-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20120302594-A1 QUATERNARY OPIOID CARBOXAMIDES OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 OPRM1 3/4885OPRD1 1/4885OPRK1 2/4885
US-20110230511-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 1/4885
US-20150119416-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 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.

Send feedback