SCHEMBL5870943

SCHEMBL5870943

CCC(=O)N(CC1CCCN(Cc2ccccc2)C1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.62
OPRD1 P41143 4/20 0.61
OPRM1 P35372 7/20 0.58
SIGMAR1 Q99720 6/20 0.58
BCHE P06276 2/20 0.56
KDM4E B2RXH2 1/20 0.54
KCNH2 Q12809 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
SCHEMBL5870859 0.91 ACHE (0.53) ACHEOPRD1OPRM1SIGMAR1BCHE
SCHEMBL5871125 0.91 OPRM1 (0.54) ACHEOPRD1OPRM1BCHEKDM4E
SCHEMBL5870896 0.90 ALDH1A1 (0.52) ACHEOPRD1OPRM1SIGMAR1BCHE
SCHEMBL5870685 0.89 OPRD1 (0.62) ACHEOPRD1OPRM1SIGMAR1KCNH2
SCHEMBL5870753 0.89 OPRD1 (0.62) ACHEOPRD1OPRM1SIGMAR1KCNH2
SCHEMBL5870682 0.89 OPRD1 (0.62) ACHEOPRD1OPRM1SIGMAR1KCNH2
SCHEMBL5870729 0.89 ACHE (0.76) ACHEOPRD1OPRM1SIGMAR1BCHE
SCHEMBL5870741 0.86 OPRD1 (0.57) ACHEOPRD1OPRM1SIGMAR1
SCHEMBL3098485 0.86 ACHE (0.78) ACHEOPRD1OPRM1SIGMAR1
SCHEMBL5871048 0.85 KDM4E (0.55) ACHEOPRD1OPRM1SIGMAR1BCHE

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 7 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
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 ACHE 295/4885OPRD1 9/4885OPRM1 4/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 ACHE 295/4885OPRD1 9/4885OPRM1 4/4885

“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.