SCHEMBL1743559

SCHEMBL1743559

C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTR1A P08908 1/20 0.43
IDH1 O75874 2/20 0.41
MAOA P21397 1/20 0.41
FADS1 O60427 4/20 0.38
BRD4 O60885 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL9016269 1.00 TSHR (0.44) TSHRKMT2AMEN1HTR1AIDH1
SCHEMBL13184074 1.00 TSHR (0.44) TSHRKMT2AMEN1HTR1AIDH1
SCHEMBL5287000 1.00 TSHR (0.44) TSHRKMT2AMEN1HTR1AIDH1
SCHEMBL5298515 1.00 TSHR (0.44) TSHRKMT2AMEN1HTR1AIDH1
SCHEMBL15744030 0.84 FADS1 (0.53) KMT2AMEN1FADS1PTGDR2
SCHEMBL15743940 0.84 MDM2 (0.39) TSHRIDH1FADS1
SCHEMBL20794196 0.84 FADS1 (0.53) KMT2AMEN1FADS1PTGDR2
SCHEMBL15744028 0.84 FADS1 (0.53) KMT2AMEN1FADS1PTGDR2
SCHEMBL15744019 0.81 MEN1 (0.44) KMT2AMEN1MAOA
SCHEMBL15743933 0.81 MDM2 (0.50) TSHRFADS1SLC6A3

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 US disclosed
US-20170204065-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF ALCON INC. (CH) 2017-07-20 US disclosed
CN-106822206-A It is a kind of to treat pharmaceutical composition of neurodermatitis and preparation method thereof 济南昊雨青田医药技术有限公司 2017-06-13 CN disclosed
CN-106729031-A A kind of pharmaceutical composition for treating cold in children 济南昊雨青田医药技术有限公司 2017-05-31 CN disclosed
US-20170137384-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF ALCON INC. (CH) 2017-05-18 US disclosed
CN-106668096-A Pharmaceutical composition for preventing and treating hyperostosis 济南昊雨青田医药技术有限公司 2017-05-17 CN disclosed
US-9643927-B1 Process for the preparation of kinase inhibitors and intermediates thereof AERIE PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
EP-2387555-B1 METHOD FOR MAKING PHENYLETHYLAMINE COMPOUNDS JOHNSON MATTHEY PLC (GB) 2016-08-24 EP disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-2540698-A1 Method for making phenylethylamine compounds Johnson Matthey PLC (GB) 2013-01-02 EP disclosed
EP-2387555-A1 METHOD FOR MAKING PHENYLETHYLAMINE COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2011-11-23 EP disclosed
WO-2010058206-A1 METHOD FOR MAKING PHENYLETHYLAMINE COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2010-05-27 WO disclosed
US-20100125146-A1 METHOD FOR MAKING PHARMACEUTICAL COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2010-05-20 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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 (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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP TSHR 2302/4885KMT2A 2365/4885MEN1 4409/4885
US-20170137384-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF MAP3K1, MAP3K6, MAP3K7 TSHR 2488/4885KMT2A 2006/4885MEN1 1216/4885
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 TSHR 3807/4885KMT2A 2879/4885MEN1 4126/4885
US-20170204065-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF MAP3K1, MAP3K6, MAP3K7 TSHR 2488/4885KMT2A 2006/4885MEN1 1216/4885
US-20100125146-A1 METHOD FOR MAKING PHARMACEUTICAL COMPOUNDS ADORA2B, ADORA1, ADRA2B TSHR 20/4885KMT2A 1478/4885MEN1 1335/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 TSHR 4292/4885KMT2A 4422/4885MEN1 2853/4885
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 TSHR 3773/4885KMT2A 3596/4885MEN1 2750/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 TSHR 3773/4885KMT2A 3596/4885MEN1 2750/4885

“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.