SCHEMBL2674706

SCHEMBL2674706

CC(NC1CC1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADORA2A P29274 6/20 0.43
ADORA1 P30542 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNA5 P22460 3/20 0.40
TSHR P16473 1/20 0.40
KCNE1 P15382 1/20 0.40
ADORA3 P0DMS8 4/20 0.39
ADORA2B P29275 1/20 0.39
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.38
CNR2 P34972 1/20 0.38
IDH1 O75874 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
SCHEMBL28468764 0.93 GAA (0.57) GAAL3MBTL1ADORA2AADORA1CYP1A2
SCHEMBL28472061 0.93 GAA (0.53) GAAL3MBTL1ADORA2AADORA1CYP1A2
SCHEMBL2085129 0.81 ADORA2A (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL28470929 0.80 IDH1 (0.37) ADORA2AADORA1CYP1A2CYP3A4SLC6A2
SCHEMBL28469055 0.79 ADORA2A (0.39) ADORA2AADORA1CYP1A2CYP3A4ADORA3
SCHEMBL28464903 0.79 ADORA2A (0.39) ADORA2AADORA1CYP1A2CYP3A4ADORA3
SCHEMBL16132317 0.78 SLC6A2 (0.37) GAAL3MBTL1ADORA2AADORA1CYP1A2
SCHEMBL6268680 0.78 IDH1 (0.38) ADORA2ACYP1A2CYP3A4SLC6A2SLC6A4
SCHEMBL16132515 0.78 KCNA5 (0.41) CYP1A2SLC6A2SLC6A4SLC6A3KCNA5
SCHEMBL28462190 0.77 ADORA2A (0.41) ADORA2AADORA1KCNA5ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP claimed
CN-111629728-A Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor 科尔沃斯制药股份有限公司 2020-09-04 CN disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 US disclosed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 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 (2 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GAA 4370/4885L3MBTL1 1346/4885ADORA2A 4245/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 GAA 2208/4885L3MBTL1 2343/4885ADORA2A 46/4885

“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.