SCHEMBL1948855

SCHEMBL1948855

CC(C)(C)OC(=O)n1c[c]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
EPHX1 P07099 1/20 0.40
NR1H2 P55055 5/20 0.40
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
BUB1 O43683 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL9581907 0.82 KMT2A (0.46) BCHEL3MBTL1MEN1KMT2AMAPK1
SCHEMBL9550619 0.80 CYP1A2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9582187 0.79 ALDH1A1 (0.43) BCHEL3MBTL1MEN1KMT2AKDM4E
SCHEMBL28600580 0.79 ALDH1A1 (0.41) BCHENR1H2GPR119MEN1KMT2A
SCHEMBL28600582 0.79 ALDH1A1 (0.41) BCHEL3MBTL1NR1H2GPR119MEN1
SCHEMBL1561088 0.77 POLB (0.44) BCHEGPR119HSP90AA1HSP90AB1
SCHEMBL3209745 0.76 NOTUM (0.47) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28604236 0.76 GPR119 (0.40) L3MBTL1NR1H2GPR119MEN1KMT2A
SCHEMBL8871120 0.74 TSHR (0.34) L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL9581901 0.73 BCHE (0.35) BCHEL3MBTL1KMT2AMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563732-B 7- (trimethoxyphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof 南方医科大学 2021-11-26 CN claimed
CN-113105459-A Triazolopyrimidine derivative and preparation method and application thereof 五邑大学 2021-07-13 CN claimed
CN-110563732-A 7- (trimethoxyphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof 南方医科大学 2019-12-13 CN claimed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US claimed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US claimed
CN-100558728-C Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-11-11 CN claimed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US claimed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 CN claimed
CN-1433411-A Compound (I) ASTRAZENECA AB (SE) 2003-07-30 CN claimed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP claimed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 US claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO claimed
EP-0927192-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-07-07 EP claimed
WO-1998011128-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1998-03-19 WO claimed

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS BCHE 210/4885L3MBTL1 2352/4885CHRM2 6/4885
US-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 BCHE 1191/4885L3MBTL1 3977/4885CHRM2 327/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS BCHE 171/4885L3MBTL1 3426/4885CHRM2 20/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 BCHE 161/4885L3MBTL1 3323/4885CHRM2 17/4885

“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.