SCHEMBL13645880

SCHEMBL13645880

CC(C)(C)OC(=O)N1CCC(n2cnnn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.46
HPGD P15428 1/20 0.46
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
BACE1 P56817 1/20 0.44
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HCAR1 Q9BXC0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL20320098 0.87 GPR119 (0.40) GPR119HPGDCTSDCTSEBACE1
SCHEMBL9933620 0.81 NR1H2 (0.51) GPR119KDM4EUSP2SMN1; SMN2
SCHEMBL16400359 0.81 GPR119 (0.49) GPR119HPGDRECQLEPHX1DDB1
SCHEMBL31390591 0.79 CHRM2 (0.48) GPR119
SCHEMBL591527 0.79 GPR119 (0.47) GPR119HPGDCTSDCTSEBACE1
SCHEMBL26610129 0.78 RECQL (0.47) GPR119HPGDCTSDCTSEBACE1
SCHEMBL10084068 0.78 NR1H2 (0.40) GPR119HPGDKDM4EPTPN2PTPN1
SCHEMBL9933368 0.78 NR1H2 (0.40) GPR119HPGDKDM4EPTPN2PTPN1
SCHEMBL3865354 0.78 GPR119 (0.54) GPR119HPGDCTSDCTSEBACE1
SCHEMBL4771035 0.77 GPR119 (0.47) GPR119HPGDBACE1RECQLEPHX1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851610-B Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists 赫普泰雅治疗有限公司 2021-09-21 CN disclosed
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-08-20 US disclosed
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 US disclosed
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-02-05 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 EP disclosed
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
US-9670183-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-06 US disclosed
US-9670183-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-06 US disclosed
US-20170015650-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-01-19 US disclosed
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 WO disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 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 (10 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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 GPR119 74/4885HPGD 3377/4885CTSD 4154/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 GPR119 149/4885HPGD 785/4885CTSD 1890/4885
US-20170015650-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 GPR119 69/4885HPGD 3321/4885CTSD 4062/4885
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 GPR119 71/4885HPGD 3379/4885CTSD 4140/4885
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 GPR119 60/4885HPGD 4168/4885CTSD 3912/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 GPR119 74/4885HPGD 3377/4885CTSD 4154/4885
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 GPR119 74/4885HPGD 3377/4885CTSD 4154/4885
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists CHRM1, CHRM2, CHRM5 GPR119 60/4885HPGD 4168/4885CTSD 3912/4885
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 GPR119 71/4885HPGD 3379/4885CTSD 4140/4885
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 GPR119 71/4885HPGD 3379/4885CTSD 4140/4885

“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.