SCHEMBL2227084

SCHEMBL2227084

CC(C)(C)OC(=O)N1CC=CC1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PREP P48147 1/20 0.37
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HSD11B1 P28845 1/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL24821656 1.00 NR1H2 (0.42) NR1H2MEN1KMT2APREPCTSK
SCHEMBL1639634 1.00 NR1H2 (0.42) NR1H2MEN1KMT2APREPCTSK
SCHEMBL4040236 0.88 NR1H2 (0.37) NR1H2MEN1KMT2APREPCTSK
SCHEMBL4040230 0.88 NR1H2 (0.37) NR1H2MEN1KMT2APREPCTSK
SCHEMBL4049137 0.86 PREP (0.35) NR1H2PREPCTSKLMNANPSR1
SCHEMBL4049132 0.86 PREP (0.35) NR1H2PREPCTSKLMNANPSR1
SCHEMBL22950853 0.83 PREP (0.35) NR1H2MEN1KMT2APREPCTSK
SCHEMBL4042751 0.82 LMNA (0.36) NR1H2MEN1KMT2APREPCTSK
SCHEMBL13944483 0.82 CTSK (0.42) NR1H2MEN1KMT2APREPCTSK
SCHEMBL4197155 0.82 CTSK (0.42) NR1H2MEN1KMT2APREPCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027068-A Compound containing bridged ring and application thereof 上海艾力斯医药科技股份有限公司 2024-05-14 CN disclosed
CN-117430619-A Pyrazolopyridine compound and preparation method and application thereof 上海艾力斯医药科技股份有限公司 2024-01-23 CN disclosed
US-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2023-03-16 US disclosed
WO-2022161448-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 WO disclosed
EP-4003355-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-06-01 EP disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
WO-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 WO disclosed
EP-2705035-B1 TRICYCLIC PYRAZOLE SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-14 EP disclosed
US-20160324865-A1 TRICYCLIC PYRAZOLE SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2016-11-10 US disclosed
US-9242997-B2 Tricyclic pyrazole sulphonamide compunds and methods of making and using same ZAFGEN, INC. (US) 2016-01-26 US disclosed
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-01 US disclosed
EP-2516446-A2 SUBSTITUTED HEXAHYDROCHROMENO[3,4-B]PYRROLES WITH AFFINITY FOR THE SEROTONIN RECEPTOR (5-HT) FAMILY Cephalon, Inc. (US) 2012-10-31 EP disclosed
WO-2011087713-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 WO disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles AMURA THERAPEUTICS LTD. (GB) 2009-01-01 US disclosed
EP-1917266-A1 PREPARATION OF DIAZAPENTALENE DERIVATIVES VIA EPOXYDATION OF DIHYDROPYRROLES Amura Therapeutics Limited (GB) 2008-05-07 EP disclosed
WO-2007017698-A1 PREPARATION OF DIAZAPENTALENE DERIVATIVES VIA EPOXYDATION OF DIHYDROPYRROLES AMURA THERAPEUTICS LIMITED (GB) 2007-02-15 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (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-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles PTGDR2, PTGER2, PTGDR NR1H2 384/4885MEN1 1777/4885KMT2A 4154/4885
US-20160324865-A1 TRICYCLIC PYRAZOLE SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, ANPEP, DPP4 NR1H2 4298/4885MEN1 2364/4885KMT2A 870/4885
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 NR1H2 456/4885MEN1 672/4885KMT2A 4628/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS NR1H2 106/4885MEN1 3247/4885KMT2A 3867/4885
US-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP NR1H2 142/4885MEN1 4074/4885KMT2A 3329/4885

“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.