Diphenoxylate

Diphenoxylate

SCHEMBL3083175

CCOC(=O)C1(c2ccccc2)CCN(C)CC1.CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

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

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 7/20 0.94
KCNA3 P22001 5/20 0.94
OPRD1 P41143 5/20 0.67
OPRK1 P41145 5/20 0.67
SLC22A1 O15245 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
KCNH2 Q12809 1/20 0.67
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
Diphenoxylate SCHEMBL42940 0.97 OPRM1 (1.00) OPRM1KCNA3OPRD1OPRK1SLC22A1
Diphenoxylate SCHEMBL20595320 0.96 OPRM1 (0.98) OPRM1KCNA3OPRD1OPRK1SLC22A1
Diphenoxylate SCHEMBL28385054 0.96 OPRM1 (0.98) OPRM1KCNA3OPRD1OPRK1SLC22A1
Diphenoxylate SCHEMBL28596518 0.96 OPRM1 (0.98) OPRM1KCNA3OPRD1OPRK1SLC22A1
Diphenoxylate SCHEMBL42124 0.96 OPRM1 (0.98) OPRM1KCNA3OPRD1OPRK1SLC22A1
Diphenoxylate SCHEMBL28374697 0.96 OPRM1 (0.98) OPRM1KCNA3OPRD1OPRK1SLC22A1
Diphenoxylate SCHEMBL8160138 0.94 OPRM1 (0.94) OPRM1KCNA3OPRD1OPRK1SLC22A1
Diphenoxylate SCHEMBL29019114 0.89 OPRM1 (0.84) OPRM1KCNA3OPRD1OPRK1SLC22A1
Butoxylate SCHEMBL23852174 0.87 KCNA3 (0.82) OPRM1KCNA3OPRD1OPRK1
Butoxylate SCHEMBL241324 0.87 KCNA3 (0.82) OPRM1KCNA3OPRD1OPRK1

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-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP claimed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 WO claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 US disclosed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US disclosed
EP-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP disclosed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 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 (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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B OPRM1 53/4885KCNA3 3160/4885OPRD1 103/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB OPRM1 498/4885KCNA3 2803/4885OPRD1 722/4885

“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.