SCHEMBL5870837

SCHEMBL5870837

CCC(=O)N(CCc1ccccc1)C(CCc1ccccc1)C1CCCCNC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
OPRD1 P41143 1/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.36
AGTR2 P50052 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL7497822 1.00 OPRM1 (0.40) OPRM1L3MBTL1OPRD1SLC6A2SLC6A4
SCHEMBL7498243 0.82 OPRD1 (0.44) OPRM1L3MBTL1OPRD1SLC6A2SLC6A4
SCHEMBL7503837 0.82 OPRD1 (0.44) OPRM1L3MBTL1OPRD1SLC6A2SLC6A4
SCHEMBL5871033 0.82 OPRD1 (0.44) OPRM1L3MBTL1OPRD1SLC6A2SLC6A4
SCHEMBL4839293 0.81 OPRM1 (0.40) OPRM1L3MBTL1OPRD1SLC6A2SLC6A4
SCHEMBL7498252 0.78 OPRM1 (0.39) OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL3078163 0.77 OPRM1 (0.43) OPRM1L3MBTL1OPRD1SLC6A2SLC6A4
SCHEMBL5870866 0.77 OPRM1 (0.41) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL7501264 0.76 OPRD1 (0.42) OPRM1L3MBTL1OPRD1SLC6A3
SCHEMBL5870992 0.76 OPRD1 (0.39) OPRM1OPRD1SLC6A2SLC6A4SLC6A3

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 4/4885L3MBTL1 4623/4885OPRD1 9/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRM1 4/4885L3MBTL1 4623/4885OPRD1 9/4885

“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.