SCHEMBL5871130

SCHEMBL5871130

CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccccc2F)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 1/20 0.56
GAA P10253 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
EPHX2 P34913 1/20 0.49
USP30 Q70CQ3 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.48
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL17533942 0.89 HDAC1 (0.62) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL762580 0.89 HDAC1 (0.62) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL19378084 0.89 HDAC1 (0.62) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL4101109 0.88 KMT2A (0.57) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL13060443 0.88 PTPN2 (0.62) KMT2AMEN1LMNARAB9ASMN1; SMN2
SCHEMBL3739365 0.87 PARP1 (0.53) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL25362018 0.85 SIRT2 (0.51) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL30496077 0.85 SIRT2 (0.51) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL3715390 0.84 ABL1 (0.62) KMT2AMEN1LMNAGAARAB9A
SCHEMBL5870918 0.84 ABL1 (0.62) KMT2AMEN1LMNAGAARAB9A

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 KMT2A 3690/4885MEN1 4530/4885LMNA 4354/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 KMT2A 3690/4885MEN1 4530/4885LMNA 4354/4885

“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.