SCHEMBL5870764

SCHEMBL5870764

CCC(=O)N(c1ccccc1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
SIGMAR1 Q99720 2/20 0.50
USP30 Q70CQ3 4/20 0.49
OPRL1 P41146 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
OPRD1 P41143 4/20 0.48
SLC22A1 O15245 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB1 P08183 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOA P21397 1/20 0.48
DRD4 P21917 1/20 0.48
MAOB P27338 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL5870769 1.00 OPRM1 (0.50) OPRM1SIGMAR1USP30OPRL1MEN1
SCHEMBL5870951 1.00 OPRM1 (0.50) OPRM1SIGMAR1USP30OPRL1MEN1
SCHEMBL18792905 0.86 MEN1 (0.63) OPRM1SIGMAR1OPRL1MEN1KMT2A
SCHEMBL4541260 0.86 USP30 (0.50) OPRM1USP30MEN1KMT2AJAK2
SCHEMBL5870869 0.84 USP30 (0.51) USP30MEN1KMT2AJAK2JAK1
SCHEMBL5870788 0.81 ACKR3 (0.50) USP30OPRD1JAK2JAK1
SCHEMBL5870776 0.81 ACKR3 (0.50) USP30OPRD1JAK2JAK1
SCHEMBL5871030 0.81 ACKR3 (0.50) USP30OPRD1JAK2JAK1
SCHEMBL13400341 0.80 USP30 (0.48) USP30MEN1KMT2AJAK2JAK1
SCHEMBL7248215 0.80 USP30 (0.48) USP30MEN1KMT2AJAK2JAK1

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 10 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-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO 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 OPRM1 4/4885SIGMAR1 40/4885USP30 3782/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRM1 4/4885SIGMAR1 40/4885USP30 3782/4885

“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.