SCHEMBL5213121

SCHEMBL5213121

COc1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.51
PDE4B Q07343 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
GPR119 Q8TDV5 3/20 0.48
STS P08842 1/20 0.48
SCN9A Q15858 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.47
MAPK14 Q16539 2/20 0.46
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TGFBR1 P36897 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL18280030 0.89 DPP4 (0.52) TLR7GPR119SCN9ADPP4KDM4E
SCHEMBL1867887 0.85 GPR119 (0.49) TLR7GPR119SCN9ADPP4KDM4E
SCHEMBL11949137 0.85 GPR119 (0.49) TLR7GPR119SCN9ADPP4KDM4E
SCHEMBL15536555 0.85 CCR3 (0.53) TLR7GPR119STSSCN9ADPP4
SCHEMBL6393062 0.85 MAPK14 (0.52) MAPK14ATMALDH1A1CYP2C9CYP2C19
SCHEMBL18280182 0.83 DPP4 (0.51) TLR7GPR119SCN9ADPP4KDM4E
SCHEMBL18310148 0.83 CYP2C9 (0.47) TLR7PDE4BPDE4APDE4CPDE4D
SCHEMBL24652483 0.83 GPR119 (0.49) TLR7GPR119SCN9ADPP4KDM4E
SCHEMBL22265974 0.83 GPR119 (0.49) TLR7GPR119STSSCN9ADPP4
SCHEMBL30560069 0.83 GPR119 (0.49) TLR7GPR119SCN9ADPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902712-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-27 US disclosed
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 EP disclosed
CN-104725356-B Nitrogen heterocyclic derivatives and application thereof in medicine 广东东阳光药业有限公司 2017-02-22 CN disclosed
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 US disclosed
EP-3083584-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
WO-2015090232-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-08-11 US disclosed
EP-1476161-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
WO-2003068236-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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 (3 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 TLR7 1139/4885PDE4B 4101/4885PDE4A 3764/4885
US-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors HTR5A, HTR2C, HTR3C TLR7 1087/4885PDE4B 2132/4885PDE4A 1894/4885
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS TNNC1, IAPP, TNNI3 TLR7 4860/4885PDE4B 1912/4885PDE4A 1394/4885

“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.