SCHEMBL5871013

SCHEMBL5871013

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
OPRD1 P41143 2/20 0.38
SLC6A4 P31645 7/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 5/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 1/20 0.37
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3278539 0.83 TRPM8 (0.46) KMT2ACPN1CPB2OPRD1SLC6A4
SCHEMBL3273608 0.83 TRPM8 (0.46) KMT2ACPN1CPB2OPRD1SLC6A4
SCHEMBL13400173 0.83 TRPM8 (0.46) KMT2ACPN1CPB2OPRD1SLC6A4
SCHEMBL5870864 0.82 KDM4E (0.39) KMT2ACPN1CPB2SLC6A4SLC6A2
SCHEMBL5870807 0.80 OPRD1 (0.38) KMT2ACPN1CPB2OPRD1SLC6A4
SCHEMBL5870950 0.78 OPRD1 (0.41) KMT2ACPN1CPB2OPRD1SLC6A4
SCHEMBL5871051 0.77 OPRD1 (0.43) KMT2ACPN1CPB2OPRD1SLC6A4
SCHEMBL7498243 0.77 OPRD1 (0.44) KMT2AOPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL5871033 0.77 OPRD1 (0.44) KMT2AOPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL7503837 0.77 OPRD1 (0.44) KMT2AOPRD1SLC6A4SLC6A2SLC6A3

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 KMT2A 3690/4885CPN1 4285/4885CPB2 3380/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 KMT2A 3690/4885CPN1 4285/4885CPB2 3380/4885

“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.