SCHEMBL2855372

SCHEMBL2855372

CC(C)(C)OC(=O)NCCNC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
CHRM2 P08172 4/20 0.56
CHRM5 P08912 4/20 0.56
CHRM3 P20309 3/20 0.56
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 3/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
CYP2C19 P33261 1/20 0.52
USP2 O75604 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 1/20 0.48
GRIN2B Q13224 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 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
SCHEMBL14376547 0.95 HTT (0.53) KDM4ECHRM2CHRM5CHRM3HTT
SCHEMBL8669009 0.92 KDM4E (0.54) KDM4ECHRM2CHRM5CHRM3HTT
SCHEMBL23163848 0.90 HTT (0.48) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL27107743 0.88 HTT (0.69) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL16399970 0.88 HTT (0.56) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL16095344 0.88 KMT2A (0.60) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3710438 0.88 USP30 (0.50) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL951538 0.87 KMT2A (0.59) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL304546 0.87 SMN1; SMN2 (0.58) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4273933 0.87 HTT (0.53) KDM4EHTTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 US disclosed
CN-110770224-B Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2022-11-18 CN disclosed
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
EP-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 EP disclosed
CN-110770224-A Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2020-02-07 CN disclosed
US-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 US disclosed
US-20180273552-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2018-09-27 US disclosed
WO-2018165611-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 WO disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 US disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
CN-1989104-B Cyclic amide derivatives, their preparation and their use as antithrombotic agents TAKEDA PHARMACEUTICAL 2011-07-13 CN disclosed
CN-102093285-A Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL 2011-06-15 CN disclosed
EP-2208726-A1 Cyclic amide derivatives, and their production and use as antithrombotic agents Takeda Pharmaceutical Company Limited (JP) 2010-07-21 EP disclosed
US-7745623-B2 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-29 US disclosed
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-10-18 US disclosed
CN-1989104-A Cyclic amide derivatives, their preparation and their use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2007-06-27 CN 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 (8 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-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 KDM4E 4074/4885CHRM2 571/4885CHRM5 1709/4885
US-20180273552-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT KDM4E 720/4885CHRM2 4485/4885CHRM5 4213/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT KDM4E 720/4885CHRM2 4485/4885CHRM5 4213/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 KDM4E 2683/4885CHRM2 374/4885CHRM5 1013/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 KDM4E 4186/4885CHRM2 2347/4885CHRM5 2238/4885
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, CNR2 KDM4E 4199/4885CHRM2 616/4885CHRM5 1691/4885
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 KDM4E 4074/4885CHRM2 571/4885CHRM5 1709/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 KDM4E 4186/4885CHRM2 2347/4885CHRM5 2238/4885

“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.