SCHEMBL5870682

SCHEMBL5870682

CCC(=O)N(C[C@@H]1CCCN(CCc2ccccc2)C1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.62
OPRM1 P35372 7/20 0.57
OPRK1 P41145 2/20 0.57
SIGMAR1 Q99720 2/20 0.56
SLC22A1 O15245 1/20 0.56
NR1I2 O75469 1/20 0.56
ABCB1 P08183 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
MAOA P21397 1/20 0.56
DRD4 P21917 1/20 0.56
MAOB P27338 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
CHRNA4 P43681 1/20 0.56

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
SCHEMBL5870753 1.00 OPRD1 (0.62) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870685 1.00 OPRD1 (0.62) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870861 0.93 CHRM1 (0.56) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870741 0.93 OPRD1 (0.57) OPRD1OPRM1OPRK1SIGMAR1CHRNA4
SCHEMBL5870979 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870718 0.89 ACHE (0.64) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870943 0.89 ACHE (0.62) OPRD1OPRM1SIGMAR1KCNH2ACHE
SCHEMBL5870738 0.89 OPRD1 (0.60) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870894 0.89 OPRD1 (0.49) OPRD1OPRM1CHRM1CHRM3CHRNA4
SCHEMBL5870761 0.88 OPRM1 (0.50) OPRD1OPRM1OPRK1SIGMAR1SLC22A1

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 6 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
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. 2002-02-07 US 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 9/4885OPRM1 4/4885OPRK1 3/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRD1 9/4885OPRM1 4/4885OPRK1 3/4885

“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.