SCHEMBL8523869

SCHEMBL8523869

CCCCC(CC)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
FDPS P14324 1/20 0.42
PTPRA P18433 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 1/20 0.38
HRH1 P35367 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28265189 0.93 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18948136 0.90 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13381692 0.90 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9847091 0.87 FDPS (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29058174 0.87 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21770640 0.87 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19732279 0.87 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20153445 0.86 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23844725 0.84 KCNH2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18647910 0.84 KCNH2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
CN-104220466-B For the method preparing polydiene 株式会社普利司通 2016-09-21 CN disclosed
CN-102532866-B Semi-conductive resin composition DAI ICHI KOGYO SEIYAKU CO LTD 2014-07-30 CN disclosed
CN-102532866-A Semi-conductive resin composition DAI ICHI KOGYO SEIYAKU CO LTD 2012-07-04 CN disclosed
US-5929272-A BINDERS, ADHESIVES, SEALING COMPOUNDS; ENVIRONMENTAL FRIENDLINESS VIANOVA RESINS GMBH (DE) 1999-07-27 US disclosed
EP-0594562-A1 DERIVATIVES OF N,N-BIS(2,2-DIMETHYL-2-CARBOXYLETHYL)AMINE, MANUFACTURING PROCEDURE AND USE OF SAME NESTE OY (FI) 1994-05-04 EP disclosed
WO-1990008129-A1 DERIVATIVES OF N,N-BIS(2,2-DIMETHYL-2-CARBOXYLETHYL)AMINE, MANUFACTURING PROCEDURE AND USE OF SAME NESTE OY (FI) 1990-07-26 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 (1 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 GRIN2D 236/4885GRIN3B 203/4885GRIN1 651/4885

“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.