SCHEMBL5870741

SCHEMBL5870741

CCC(=O)N(CC1CCCN(CCCCc2ccccc2)C1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.57
OPRM1 P35372 5/20 0.52
CHRNB2 P17787 3/20 0.50
CHRNB4 P30926 3/20 0.50
CHRNA3 P32297 3/20 0.50
CHRNA4 P43681 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
OPRK1 P41145 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL5870682 0.93 OPRD1 (0.62) OPRD1OPRM1CHRNA4SIGMAR1OPRK1
SCHEMBL5870753 0.93 OPRD1 (0.62) OPRD1OPRM1CHRNA4SIGMAR1OPRK1
SCHEMBL5870685 0.93 OPRD1 (0.62) OPRD1OPRM1CHRNA4SIGMAR1OPRK1
SCHEMBL5870943 0.86 ACHE (0.62) OPRD1OPRM1SIGMAR1ACHE
SCHEMBL5870861 0.86 CHRM1 (0.56) OPRD1OPRM1CHRNA4SIGMAR1OPRK1
SCHEMBL5870979 0.84 OPRD1 (0.52) OPRD1OPRM1CHRNA4SIGMAR1OPRK1
SCHEMBL5870991 0.83 CXCR4 (0.55) OPRD1OPRM1SIGMAR1OPRK1
SCHEMBL5870718 0.82 ACHE (0.64) OPRD1OPRM1CHRNA4SIGMAR1OPRK1
SCHEMBL5871157 0.82 OPRD1 (0.57) OPRD1OPRM1CHRNA4SIGMAR1OPRK1
SCHEMBL5870894 0.82 OPRD1 (0.49) OPRD1OPRM1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129228-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. (US) 2006-10-31 US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 US disclosed
US-6677332-B1 AMIDE-SUBSTITUTED PIPERIDINE OR AZEPINE DERIVATIVES TO TREAT DRUG ABUSE AND TINNITUS SEPRACOR, INC. 2004-01-13 US disclosed
US-6645980-B1 Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals SEPRACOR INC. 2003-11-11 US disclosed
US-6635661-B2 Piperidinyl amide compounds SEPRACOR INC. 2003-10-21 US disclosed
WO-2002069895-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-09-12 WO disclosed
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP disclosed
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. 2002-02-07 US disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 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-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRD1 9/4885OPRM1 4/4885CHRNB2 261/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRD1 9/4885OPRM1 4/4885CHRNB2 261/4885

“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.