SCHEMBL5870905

SCHEMBL5870905

CCC(=O)N(c1ccccc1)C(Cc1cccnc1)C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
ACE P12821 1/20 0.36
GRM2 Q14416 2/20 0.36
OPRD1 P41143 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 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
SCHEMBL5870950 0.90 OPRD1 (0.41) CHRM1CHRM3CHRNA4OPRD1
SCHEMBL5870992 0.87 OPRD1 (0.39) CHRM1CHRM2CHRNB2CHRM3CHRNA4
SCHEMBL7498243 0.82 OPRD1 (0.44) CHRM1CHRM3CHRNA4OPRD1
SCHEMBL5871033 0.82 OPRD1 (0.44) CHRM1CHRM3CHRNA4OPRD1
SCHEMBL7503837 0.82 OPRD1 (0.44) CHRM1CHRM3CHRNA4OPRD1
SCHEMBL7976675 0.82 OPRD1 (0.35) OPRD1
SCHEMBL5871129 0.82 RPLP1 (0.42) CHRM1CHRM2CHRM3OPRD1
SCHEMBL5870885 0.81 TAAR1 (0.38) LMNAOPRD1TSHRGAA
SCHEMBL7501264 0.81 OPRD1 (0.42) CHRM1CHRM3CHRNA4OPRD1
SCHEMBL5871117 0.80 OPRD1 (0.42) CHRM1CHRM3CHRNA4OPRD1

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 CHRM1 502/4885CHRM2 616/4885CHRNB2 261/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 CHRM1 502/4885CHRM2 616/4885CHRNB2 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.