SCHEMBL949339

SCHEMBL949339

C1CCN(CC2C[N]CCO2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
LMNA P02545 1/20 0.34
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
SRC P12931 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31

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
SCHEMBL4969550 0.98 ADRA2C (0.33) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL4969556 0.98 ADRA2C (0.33) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL3942271 0.94
SCHEMBL7477075 0.84 CHKA (0.33) HRH1HRH3KDM4EPRKCGPRKCB
SCHEMBL946307 0.84 CXCR4 (0.38) ADRA2CHRH3
SCHEMBL7464025 0.82 KDM4E (0.33) KDM4E
SCHEMBL949544 0.82 HRH3 (0.33) HRH3
SCHEMBL7469422 0.82 HRH3 (0.35) HRH1HRH3PRKCGPRKCBPRKCA
SCHEMBL7470746 0.80 KDM4E (0.42) LMNAHRH1KDM4E
SCHEMBL7475517 0.77 PARP1 (0.30)

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 7 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-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-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
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 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 (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 ADRA2C 42/4885CHRM5 70/4885ADRA2A 32/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ADRA2C 42/4885CHRM5 70/4885ADRA2A 32/4885

“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.