SCHEMBL5870864

SCHEMBL5870864

CCC(=O)N(c1ccccc1)C(C1CCCNC1)C(O)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 2/20 0.35
RPLP1 P05386 2/20 0.35
RPLP0 P05388 2/20 0.35
RPS17 P08708 2/20 0.35
RPSA P08865 2/20 0.35
RPS2 P15880 2/20 0.35
RPL35A P18077 2/20 0.35
RPL7 P18124 2/20 0.35
RPL17 P18621 2/20 0.35
RPS4Y1 P22090 2/20 0.35
RPS3 P23396 2/20 0.35
RPS12 P25398 2/20 0.35
RPL13 P26373 2/20 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
SCHEMBL5871013 0.82 KMT2A (0.40) SLC6A2SLC6A4SLC6A3KMT2AKCNH2
SCHEMBL3278539 0.80 TRPM8 (0.46) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL13400173 0.80 TRPM8 (0.46) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3273608 0.80 TRPM8 (0.46) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL5870950 0.75 OPRD1 (0.41) SLC6A2SLC6A4SLC6A3KMT2AKCNH2
SCHEMBL5870905 0.75 CHRM1 (0.41) KDM4EPOLBALDH1A1LMNA
SCHEMBL5870807 0.75 OPRD1 (0.38) SLC6A2SLC6A4KMT2ACPN1CPB2
SCHEMBL5871051 0.74 OPRD1 (0.43) SLC6A2SLC6A4SLC6A3KMT2ACPN1
SCHEMBL7503837 0.73 OPRD1 (0.44) SLC6A2SLC6A4SLC6A3KMT2AKCNH2
SCHEMBL5871033 0.73 OPRD1 (0.44) SLC6A2SLC6A4SLC6A3KMT2AKCNH2

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 8 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
WO-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO 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 KDM4E 4237/4885POLB 4835/4885USP2 3980/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 KDM4E 4237/4885POLB 4835/4885USP2 3980/4885

“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.