SCHEMBL3276930

SCHEMBL3276930

CC(Nc1ccccc1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.53
GPR119 Q8TDV5 3/20 0.49
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACKR3 P25106 1/20 0.46
LCK P06239 2/20 0.45
HPGDS O60760 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7248199 0.88 GPR119 (0.52) USP30GPR119NPC1ALDH1A1MAPT
SCHEMBL5870827 0.83 USP30 (0.52) USP30GPR119NPC1ALDH1A1MAPT
SCHEMBL3279406 0.82 LCK (0.61) NPC1HTTRAB9ALCKJAK2
SCHEMBL13400113 0.82 LCK (0.61) NPC1HTTRAB9ALCKJAK2
SCHEMBL3272471 0.82 LCK (0.61) NPC1HTTRAB9ALCKJAK2
SCHEMBL13400114 0.82 LCK (0.61) NPC1HTTRAB9ALCKJAK2
SCHEMBL13400095 0.82 LCK (0.61) NPC1HTTRAB9ALCKJAK2
SCHEMBL3276669 0.82 LCK (0.61) NPC1HTTRAB9ALCKJAK2
SCHEMBL3271587 0.82 LCK (0.61) NPC1HTTRAB9ALCKJAK2
SCHEMBL20970042 0.81 USP30 (0.62) USP30GPR119NPC1ALDH1A1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-7129228-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. (US) 2006-10-31 US disclosed
US-20060211864-A1 Methods for the stereoselective synthesis of substituted piperidines AQUILA BRIAN M 2006-09-21 US disclosed
US-7005524-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2006-02-28 US disclosed
US-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines AQUILA BRIAN M (US) 2004-11-25 US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 US disclosed
US-6703508-B2 ANALGESICS SEPRACOR, INC. 2004-03-09 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-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. 2002-11-28 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 (5 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 3782/4885GPR119 697/4885NPC1 2369/4885
US-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A USP30 3436/4885GPR119 1275/4885NPC1 1093/4885
US-20060211864-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A USP30 3436/4885GPR119 1275/4885NPC1 1093/4885
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A USP30 3436/4885GPR119 1275/4885NPC1 1093/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 USP30 3782/4885GPR119 697/4885NPC1 2369/4885

“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.