SCHEMBL5870992

SCHEMBL5870992

CCC(=O)N(c1cccnc1)C(CCc1ccccc1)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 3/20 0.39
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRNB2 P17787 1/20 0.38
RPS6KB1 P23443 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A1 O15245 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB1 P08183 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOA P21397 1/20 0.36
DRD4 P21917 1/20 0.36
MAOB P27338 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
SCHEMBL5871033 0.91 OPRD1 (0.44) OPRD1CHRM1CHRM3CHRNA4OPRM1
SCHEMBL7503837 0.91 OPRD1 (0.44) OPRD1CHRM1CHRM3CHRNA4OPRM1
SCHEMBL7498243 0.91 OPRD1 (0.44) OPRD1CHRM1CHRM3CHRNA4OPRM1
SCHEMBL7491311 0.90 CHRNB2 (0.39) LMNATSHRCHRM1CHRM3CHRNA4
SCHEMBL5870905 0.87 CHRM1 (0.41) OPRD1LMNATSHRCHRM1CHRM3
SCHEMBL7494447 0.85 TSHR (0.41) OPRD1TSHROPRM1OPRK1
SCHEMBL5870866 0.85 OPRM1 (0.41) OPRD1CHRM1CHRM3CHRNA4OPRM1
SCHEMBL7501264 0.85 OPRD1 (0.42) OPRD1CHRM1CHRM3CHRNA4OPRM1
SCHEMBL5871117 0.84 OPRD1 (0.42) OPRD1CHRM1CHRM3CHRNA4OPRM1
SCHEMBL5871001 0.81 MBTPS1 (0.39) OPRD1CHRM3SLC6A3KCNH2GHSR

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 OPRD1 9/4885LMNA 4354/4885TSHR 1346/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRD1 9/4885LMNA 4354/4885TSHR 1346/4885

“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.