SCHEMBL5871004

SCHEMBL5871004

CCN(C(=O)C1CCCN(CCc2ccccc2)C1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
DRD3 P35462 2/20 0.54
KMT2A Q03164 1/20 0.52
OPRM1 P35372 3/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
SLC22A1 O15245 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB1 P08183 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
MAOA P21397 1/20 0.50
DRD4 P21917 1/20 0.50
MAOB P27338 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
ADRA1B P35368 1/20 0.50

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
SCHEMBL8459686 0.86 OPRM1 (0.60) KDM4EDRD3KMT2AOPRM1OPRD1
SCHEMBL5870761 0.81 OPRM1 (0.50) DRD3KMT2AOPRM1OPRD1OPRK1
SCHEMBL2450443 0.78 KMT2A (0.60) KDM4EDRD3KMT2ASLC6A3
SCHEMBL5870753 0.78 OPRD1 (0.62) DRD3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL5870682 0.78 OPRD1 (0.62) DRD3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL5870685 0.78 OPRD1 (0.62) DRD3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL5870718 0.76 ACHE (0.64) DRD3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7141111 0.76 HTT (0.63) KMT2APKMHTTSMN1; SMN2ALDH1A1
SCHEMBL6498997 0.75 LTA4H (0.48) DRD3KMT2AOPRM1OPRD1OPRK1
SCHEMBL5870783 0.75 OPRM1 (0.75) DRD3OPRM1OPRD1OPRK1SLC22A1

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 KDM4E 4237/4885DRD3 446/4885KMT2A 3690/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 KDM4E 4237/4885DRD3 446/4885KMT2A 3690/4885

“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.