SCHEMBL12359302

SCHEMBL12359302

CCCCOc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.70
MAOA P21397 16/20 0.70
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR7 P34969 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL13111961 0.96 MAOB (0.65) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL31718445 0.94 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL426467 0.88 MAOB (0.70) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL18892577 0.88 MAOB (0.76) MAOBMAOADRD2
SCHEMBL2205572 0.88 MAOA (0.66) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL11768557 0.87 MAOB (0.63) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL10675306 0.87 MAOB (0.68) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL9164057 0.87 MAOB (0.68) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL6585538 0.87 MAOB (0.68) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL8212260 0.87 MAOB (0.72) MAOBMAOADRD2

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 MAOB 1762/4885MAOA 1485/4885PDE3B 18/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 MAOB 1762/4885MAOA 1485/4885PDE3B 18/4885

“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.