SCHEMBL5870944

SCHEMBL5870944

CC(C)C(=O)N(CC1CCCN(CCc2ccccc2)C1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
OPRD1 P41143 2/20 0.46
OPRK1 P41145 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL5870682 0.86 OPRD1 (0.62) OPRM1OPRD1OPRK1CHRM1CHRM3
SCHEMBL5870753 0.86 OPRD1 (0.62) OPRM1OPRD1OPRK1CHRM1CHRM3
SCHEMBL5870685 0.86 OPRD1 (0.62) OPRM1OPRD1OPRK1CHRM1CHRM3
SCHEMBL5870761 0.85 OPRM1 (0.50) OPRM1KMT2AOPRD1OPRK1LTA4H
SCHEMBL5870894 0.83 OPRD1 (0.49) OPRM1KMT2AMEN1OPRD1CHRM5
SCHEMBL6498997 0.83 LTA4H (0.48) OPRM1KMT2AOPRD1OPRK1LTA4H
SCHEMBL6486577 0.82 CCR2 (0.50) KMT2ALTA4HEPHX2
SCHEMBL5870748 0.81 KMT2A (0.59) OPRM1KMT2AMEN1OPRD1OPRK1
SCHEMBL5870902 0.80 OPRM1 (0.60) OPRM1KMT2AOPRD1OPRK1LTA4H
SCHEMBL5870861 0.80 CHRM1 (0.56) OPRM1OPRD1OPRK1CHRM5CHRM1

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 OPRM1 4/4885KMT2A 3690/4885MEN1 4530/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRM1 4/4885KMT2A 3690/4885MEN1 4530/4885

“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.