SCHEMBL1127904

SCHEMBL1127904

CC(C)(C)OC(=O)Nc1ccccc1CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
METAP1 P53582 1/20 0.41
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CTSL P07711 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.39
SLC29A1 Q99808 1/20 0.39

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
SCHEMBL30476615 1.00 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL13980716 0.87 POLB (0.50) LMNAPOLBRXFP1ALDH1A1TSHR
SCHEMBL29991524 0.87 POLB (0.50) LMNAPOLBRXFP1ALDH1A1TSHR
SCHEMBL19912770 0.87 LMNA (0.45) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL28874765 0.87 LMNA (0.42) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL31166733 0.87 LMNA (0.45) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL29729975 0.86 ALDH1A1 (0.50) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL6595061 0.86 LMNA (0.49) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL646870 0.86 ALDH1A1 (0.50) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL27668540 0.85 LMNA (0.46) LMNAPOLBRXFP1BRD9METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116422151-B Application method of slime stripping agent for reverse osmosis membrane system 杭州尚善若水环保科技有限公司 2023-09-26 CN claimed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
CN-116422151-B Application method of slime stripping agent for reverse osmosis membrane system 杭州尚善若水环保科技有限公司 2023-09-26 CN disclosed
CN-116422151-A Application method of slime stripping agent for reverse osmosis membrane system 杭州尚善若水环保科技有限公司 2023-07-14 CN disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
EP-3628045-A1 COMPOUNDS The University Of Sheffield (GB) 2020-04-01 EP disclosed
WO-2018211275-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2018-11-22 WO disclosed
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 US disclosed
EP-2282999-B1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-05-21 EP disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
WO-2012002501-A1 LIQUID CRYSTAL ALIGNMENT TREATMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH THE LIQUID CRYSTAL ALIGNMENT FILM 日産化学工業株式会社 (JP) 2012-01-05 WO disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
EP-2282999-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS Schering Corporation (US) 2011-02-16 EP disclosed
WO-2009111442-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2009-09-11 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 (4 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-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS NPSR1, TACR1, NPFFR1 LMNA 1925/4885POLB 2267/4885RXFP1 112/4885
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 LMNA 1391/4885POLB 2642/4885RXFP1 116/4885
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 LMNA 612/4885POLB 3400/4885RXFP1 32/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 LMNA 612/4885POLB 3400/4885RXFP1 32/4885

“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.