Nalbuphine

Nalbuphine

SCHEMBL4545390

Oc1ccc2c3c1OC1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1OPRK1OPRM1

The experimentally established mechanism targets of Nalbuphine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 11/20 1.00
▸ OPRK1 known ✓ P41145 10/20 1.00
▸ OPRD1 known ✓ P41143 9/20 1.00
▸ LMNA P02545 2/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ PKM P14618 1/20 1.00
▸ THPO P40225 1/20 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
Nalbuphine SCHEMBL4138643 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL3118641 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL3118636 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL12945211 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL10103725 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL13225650 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL19199045 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL16310791 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL17168336 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2
Nalbuphine SCHEMBL21090866 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660296-B2 Treatment of chronic cough, breathlessness and dyspnea Trevi Therapeutics, Inc. (US) 2023-05-30 — — US disclosed
US-10736889-B2 Method of treating dyskinesia RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-08-11 — — US disclosed
US-20180185355-A1 Method of Treating Dyskinesia RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-07-05 — — US disclosed
US-20180185355-A1 Method of Treating Dyskinesia RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-07-05 — — US disclosed
US-9932349-B2 8-carboxamido-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2018-04-03 — — US disclosed
US-9827239-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2017-11-28 — — US disclosed
US-20170217977-A1 8-CARBOXAMIDO-2,6-METHANO-3-BENZAZOCINES RENSSELAER POLYTECHNIC INSTITUTE (US) 2017-08-03 — — US disclosed
US-20170216279-A1 METHODS FOR TREATING DEPRESSIVE SYMPTOMS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-08-03 — — US disclosed
US-20170216279-A1 METHODS FOR TREATING DEPRESSIVE SYMPTOMS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-08-03 — — US disclosed
US-20170112826-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS 2017-04-27 — — US disclosed
US-20100190817-A1 LARGE SUBSTITUENT, NON-PHENOLIC AMINE OPIOIDS RENSSELAER POLYTECHNIC INSTITUTE (US) 2010-07-29 — — US disclosed
EP-2206498-A1 Mixed ORL1/[mu] agonists for treating pain Grünenthal GmbH (DE) 2010-07-14 — — EP disclosed
US-20100048602-A1 Oligomer-Opioid Agonist Conjugates NEKTAR THERAPEUTICS (US) 2010-02-25 — — US disclosed
US-7557119-B2 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-07-07 — — US disclosed
US-20090048447-A1 METHOD FOR DECREASING OPIOID METABOLISM RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-02-19 — — US disclosed
US-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain GRUNENTHAL GMBH (DE) 2008-05-29 — — US disclosed
US-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain GRUNENTHAL GMBH (DE) 2008-05-29 — — US disclosed
WO-2008040481-A1 MIXED ORL 1/μ AGONISTS FOR TREATING PAIN Grünenthal GmbH (DE) 2008-04-10 — — WO disclosed
US-20070238748-A1 Methods for Treating Diseases with 4-Hydroxybenzomorphans RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-10-11 — — US disclosed
US-20070021457-A1 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-01-25 — — 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 (12 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-20170112826-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRK1 3/4885OPRD1 5/4885
US-20070021457-A1 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines OPRM1, OPRK1, OPRL1 OPRM1 1/4885OPRK1 2/4885OPRD1 5/4885
US-20180185355-A1 Method of Treating Dyskinesia OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRK1 3/4885OPRD1 2/4885
US-11660296-B2 Treatment of chronic cough, breathlessness and dyspnea CCL11, NPPA, ELANE OPRM1 130/4885OPRK1 49/4885OPRD1 107/4885
US-10736889-B2 Method of treating dyskinesia OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRK1 2/4885OPRD1 3/4885
US-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885OPRD1 4/4885
US-20090048447-A1 METHOD FOR DECREASING OPIOID METABOLISM OPRM1, OPRK1, CYP3A43 OPRM1 1/4885OPRK1 2/4885OPRD1 5/4885
US-20100190817-A1 LARGE SUBSTITUENT, NON-PHENOLIC AMINE OPIOIDS OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRK1 1/4885OPRD1 3/4885
US-20070238748-A1 Methods for Treating Diseases with 4-Hydroxybenzomorphans TPMT, HTR3C, PYGL OPRM1 65/4885OPRK1 11/4885OPRD1 78/4885
US-20170217977-A1 8-CARBOXAMIDO-2,6-METHANO-3-BENZAZOCINES HRH4, HRH2, HRH3 OPRM1 8/4885OPRK1 27/4885OPRD1 38/4885
US-20100048602-A1 Oligomer-Opioid Agonist Conjugates OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRK1 3/4885OPRD1 5/4885
US-20170216279-A1 METHODS FOR TREATING DEPRESSIVE SYMPTOMS OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRK1 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.

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