SCHEMBL5836154

SCHEMBL5836154

O=C(OCc1ccccc1)N1CCN(c2ccccc2)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 4/20 0.52
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TMEM97 Q5BJF2 9/20 0.48
SIGMAR1 Q99720 9/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48

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
SCHEMBL1949475 0.91 HPGD (0.56) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL6323472 0.91 MEN1 (0.48) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL3767269 0.89 TMEM97 (0.47) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL5592397 0.88 TMEM97 (0.47) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL5592390 0.85 TMEM97 (0.46) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL19960792 0.85 SMN1; SMN2 (0.45) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL5592283 0.84 MEN1 (0.52) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL5592314 0.83 MEN1 (0.51) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL4743828 0.83 GRIN2B (0.49) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL955547 0.82 MEN1 (0.55) MEN1KMT2ANPSR1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-7067655-B2 preparation of furanyl, thienyl, pyridyl, pyridyl N-oxide, oxazolyl, phenyl, pyrrolyl or C4-C6 cycloalkenyl- substituted 5-amino-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine adenosines prepared from 2-amino-4,6-dihydroxypyrimidine, POCl3 and dimethylformamide SCHERING CORPORATION (US) 2006-06-27 US disclosed
US-6897216-B2 Adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2005-05-24 US disclosed
EP-1283839-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2005-04-20 EP disclosed
US-20050026932-A1 Adenosine A2a receptor antagonists SCHERING CORPORATION 2005-02-03 US disclosed
US-20040023997-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-05 US disclosed
US-6630475-B2 5-amino-pyrazolo-(4, 3-e)-1,2,4-triazolo(1,5-c)pyrimidine adenosine A2a receptor antagonists; use in the treatment of central nervous system diseases, in particular Parkinson's disease SCHERING CORPORATION 2003-10-07 US disclosed
EP-1283839-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-02-19 EP disclosed
US-20020099061-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
WO-2001092264-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-12-06 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 (3 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-20050026932-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B MEN1 3974/4885KMT2A 2140/4885NPSR1 37/4885
US-20020099061-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B MEN1 4567/4885KMT2A 2255/4885NPSR1 103/4885
US-20040023997-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B MEN1 4573/4885KMT2A 2285/4885NPSR1 104/4885

“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.