SCHEMBL5870896

SCHEMBL5870896

CCC(=O)N(CC1CCCN(Cc2cccnc2)C1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
ACHE P22303 2/20 0.52
OPRD1 P41143 4/20 0.51
MAPK1 P28482 1/20 0.48
OPRM1 P35372 4/20 0.47
SIGMAR1 Q99720 3/20 0.47
KDM4E B2RXH2 4/20 0.47
BCHE P06276 1/20 0.47
POLB P06746 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL5870943 0.90 ACHE (0.62) ACHEOPRD1OPRM1SIGMAR1KDM4E
SCHEMBL5870979 0.87 OPRD1 (0.52) OPRD1OPRM1SIGMAR1CHRNA4
SCHEMBL5870753 0.82 OPRD1 (0.62) ACHEOPRD1OPRM1SIGMAR1CHRNA4
SCHEMBL5870685 0.82 OPRD1 (0.62) ACHEOPRD1OPRM1SIGMAR1CHRNA4
SCHEMBL5870682 0.82 OPRD1 (0.62) ACHEOPRD1OPRM1SIGMAR1CHRNA4
SCHEMBL5871125 0.82 OPRM1 (0.54) ACHEOPRD1OPRM1KDM4EBCHE
SCHEMBL5870859 0.82 ACHE (0.53) ACHEOPRD1OPRM1SIGMAR1KDM4E
SCHEMBL5870876 0.80 ACHE (0.46) ALDH1A1ACHEOPRD1OPRM1SIGMAR1
SCHEMBL5870729 0.80 ACHE (0.76) ACHEOPRD1OPRM1SIGMAR1KDM4E
SCHEMBL5870741 0.79 OPRD1 (0.57) ACHEOPRD1OPRM1SIGMAR1CHRNB2

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 ALDH1A1 682/4885MAPT 3984/4885HTT 871/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 ALDH1A1 682/4885MAPT 3984/4885HTT 871/4885

“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.