SCHEMBL5870869

SCHEMBL5870869

CCN(c1ccccc1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
ACKR3 P25106 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PRMT5 O14744 2/20 0.45
HPGDS O60760 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
WDR77 Q9BQA1 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL652408 0.87 MEN1 (0.57) USP30JAK2JAK1GPR119MEN1
SCHEMBL24220804 0.87 USP30 (0.49) USP30JAK2JAK1ACKR3GPR119
SCHEMBL5870769 0.84 OPRM1 (0.50) USP30JAK2JAK1MEN1KMT2A
SCHEMBL5870951 0.84 OPRM1 (0.50) USP30JAK2JAK1MEN1KMT2A
SCHEMBL5870764 0.84 OPRM1 (0.50) USP30JAK2JAK1MEN1KMT2A
SCHEMBL24220803 0.82 MEN1 (0.53) USP30JAK2JAK1GPR119MEN1
SCHEMBL4541260 0.81 USP30 (0.50) USP30JAK2JAK1ACKR3GPR119
SCHEMBL24424432 0.81 JAK2 (0.61) USP30JAK2JAK1ACKR3GPR119
SCHEMBL31737363 0.81 JAK2 (0.61) USP30JAK2JAK1ACKR3GPR119
SCHEMBL20281450 0.80 JAK2 (0.72) USP30JAK2JAK1ACKR3GPR119

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 10 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
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP 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
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 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 USP30 3782/4885JAK2 3210/4885JAK1 4820/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 USP30 3782/4885JAK2 3210/4885JAK1 4820/4885

“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.