SCHEMBL1827201

SCHEMBL1827201

CC(C)(C)OC(=O)N1CCC(NCC(=O)OCc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
STS P08842 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
GPR119 Q8TDV5 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NTSR1 P30989 1/20 0.51
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
YAP1 P46937 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48

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
SCHEMBL28709400 0.94 HTT (0.53) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL28709401 0.94 HTT (0.53) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL3557442 0.91 HTT (0.60) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL7016338 0.89 L3MBTL1 (0.53) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL18154398 0.85 PRMT5 (0.54) HTTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL8669009 0.85 KDM4E (0.54) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL1652106 0.84 STS (0.58) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL7870 0.84 L3MBTL1 (0.58) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL616004 0.83 STS (0.60) HTTMEN1KMT2ASTSL3MBTL1
SCHEMBL16094708 0.83 L3MBTL1 (0.57) HTTMEN1KMT2ASTSL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 EP 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
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 US disclosed
EP-2970340-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014151958-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-09-25 WO disclosed
EP-1660471-B1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2011-05-04 EP disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO disclosed
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2006-12-14 US disclosed
EP-1660471-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2006-05-31 EP disclosed
WO-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 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 (7 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-20180273552-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HTT 4789/4885MEN1 4336/4885KMT2A 915/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT HTT 4789/4885MEN1 4336/4885KMT2A 915/4885
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B HTT 293/4885MEN1 1348/4885KMT2A 740/4885
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE HTT 4200/4885MEN1 3980/4885KMT2A 1759/4885
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 HTT 1680/4885MEN1 3072/4885KMT2A 2069/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HTT 4789/4885MEN1 4336/4885KMT2A 915/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 HTT 955/4885MEN1 2859/4885KMT2A 1347/4885

“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.