SCHEMBL1986972

SCHEMBL1986972

CCN(CC)C(=O)c1ccc(C(Cl)c2cccc(OC)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.62
OPRM1 P35372 3/20 0.62
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL1989199 0.86 OPRD1 (0.63) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL12606656 0.86 OPRD1 (0.63) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL1988506 0.86 OPRM1 (0.49) OPRD1OPRM1
SCHEMBL4576731 0.83 OPRD1 (0.46) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6778523 0.83 OPRD1 (0.60) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL4576597 0.82 ALDH1A1 (0.63) OPRD1OPRM1
SCHEMBL8526980 0.82 HPGD (0.56) OPRD1OPRM1
SCHEMBL6774246 0.82 OPRD1 (0.59) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL12564464 0.81 NPC1 (0.49) CYP3A4
SCHEMBL6778806 0.81 OPRD1 (0.58) OPRD1OPRM1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609659-B2 Substituted 3,8-diazabicyclo[3.2.1]octane compounds NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2013-12-17 US disclosed
EP-2338889-B1 Diazacyclic compounds having affinity for opioid receptors NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-08-29 EP disclosed
EP-2338889-B1 Diazacyclic compounds having affinity for opioid receptors NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-08-29 EP disclosed
EP-2338889-A1 Diazacyclic compounds having affinity for opioid receptors Neuroscienze Pharmaness S.C. A R.L. (IT) 2011-06-29 EP disclosed
EP-2338889-A1 Diazacyclic compounds having affinity for opioid receptors Neuroscienze Pharmaness S.C. A R.L. (IT) 2011-06-29 EP disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 US disclosed
US-6960609-B2 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER, INC. (US) 2005-11-01 US disclosed
US-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US disclosed
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-20030069241-A1 1-Diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER INC. 2003-04-10 US disclosed
EP-1279666-A1 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2003-01-29 EP 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
EP-0873322-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1998-10-28 EP disclosed
WO-1997023467-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO 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 (3 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 3/4885CYP1A2 497/4885
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885CYP1A2 377/4885
US-20030069241-A1 1-Diphenylmethyl-pyrazole derivatives as opioid receptor ligands OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP1A2 1091/4885

“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.