SCHEMBL6791944

SCHEMBL6791944

CCN(CC)C(=O)c1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 1.00
OPRM1 P35372 14/20 1.00
OPRK1 P41145 7/20 0.73
CYP2D6 P10635 1/20 0.61
CYP19A1 P11511 1/20 0.61

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
SCHEMBL4935999 0.88 OPRD1 (0.80) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6796562 0.88 OPRD1 (0.98) OPRD1OPRM1OPRK1
SCHEMBL8529558 0.85 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL6796353 0.85 OPRD1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL4934949 0.84 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL4937309 0.84 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL3131262 0.83 OPRD1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL6793874 0.83 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL5173440 0.83 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL5172411 0.83 OPRD1 (0.70) OPRD1OPRM1OPRK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US claimed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP claimed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US claimed
JP-2000502679-A 2000-03-07 JP claimed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP claimed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO claimed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US disclosed
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 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 (1 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-20040138228-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 OPRD1 4/4885OPRM1 3/4885OPRK1 2/4885

“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.