Nalbuphine

Nalbuphine

SCHEMBL4138643

Oc1ccc2c3c1O[C@H]1[C@@H](O)CCC4(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 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
Nalbuphine SCHEMBL4545390 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024690-B1 ANALGESIC MIXTURE OF NALBUPHINE AND ACETYLSALICYLIC ACID, DERIVATIVE OR SALT THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 — — EP claimed
JP-6024988-A — — None — — JP disclosed
US-20210330667-A1 TOPICAL COMPOSITION OF NALBUPHINE AND METHOD FOR TREATING PRURITUS CONDITION, PAIN, OR INFLAMMATORY CONDITION BY USING THE SAME LUMOSA THERAPEUTICS CO., LTD. (TW) 2021-10-28 — — US disclosed
WO-2017046814-A1 A SAFE AND ENVIRONMENT FRIENDLY PROCESS FOR PRODUCING NALBUPHINE OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF RUSAN PHARMA LIMITED (IN) 2017-03-23 — — WO disclosed
US-20150359789-A1 METHODS FOR TREATING PRURITUS Trevi Therapeutics, Inc. 2015-12-17 — — US disclosed
US-20090060871-A1 ADMINISTRATION OF AGONIST-ANTAGONIST IN OPIOID-DEPENDENT PATIENTS VORONKOV MICHAEL VICTOR 2009-03-05 — — US disclosed
JP-H0624988-A ANALGESIC AND NARCOTIC-ANTAGONISTIC DRUG FOR ORAL ADMINISTRATION DU PONT MERCK PHARMACEUT CO 1994-02-01 — — JP disclosed
US-4990617-A Analgesics, narcotic antagonists E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-02-05 — — US disclosed
EP-0170090-B1 SUBSTITUTED BENZOATE ESTER PRODRUG DERIVATIVES OF 3-HYDROXYMORPHINANS, INTERMEDIATES THERETO, AND PROCESSES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-27 — — EP disclosed
US-4722928-A N-OXIDES OF NALBUPHINE, NALTREXONE AND NALOXONE; ANALGESICS, APPETITE DEPRESSANTS, NARCOTIC ANTAGONIST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-02 — — US disclosed
US-4407804-A SYNERGISTIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-10-04 — — US disclosed
US-4404209-A SYNERGISM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-13 — — US disclosed
US-4404210-A SYNERGISM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-13 — — US disclosed
US-4404208-A SYNERGISM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-13 — — US disclosed
US-4404211-A SYNERGISM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-13 — — US disclosed
US-4402962-A Analgesic mixture of nalbuphine and 4,5-bis(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)-1H-imidazole E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-06 — — US disclosed
EP-0019282-B1 ANALGESIC MIXTURE OF NALBUPHINE AND ACETAMINOPHEN E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-12 — — EP disclosed
US-4282215-A Analgesic mixture of nalbuphine and acetylsalicylic acid, derivative or salt thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-04 — — US disclosed
EP-0024690-A1 Analgesic mixture of nalbuphine and acetylsalicylic acid, derivative or salt thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-11 — — EP disclosed
EP-0019282-A1 Analgesic mixture of nalbuphine and acetaminophen E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-11-26 — — EP 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 (2 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-20090060871-A1 ADMINISTRATION OF AGONIST-ANTAGONIST IN OPIOID-DEPENDENT PATIENTS OPRK1, OPRL1, OPRM1 OPRM1 3/4885OPRK1 1/4885OPRD1 5/4885
US-20150359789-A1 METHODS FOR TREATING PRURITUS ITCH, HRH2, HRH4 OPRM1 647/4885OPRK1 213/4885OPRD1 529/4885

“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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