SCHEMBL949891

SCHEMBL949891

CCN1CCN(CC2CNCCO2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 6/20 0.39
SLC6A4 P31645 5/20 0.39
HTR2A P28223 2/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 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
SCHEMBL4315266 0.86 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
Hydrochloric Acid SCHEMBL10512940 0.85 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL715601 0.84 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL10511175 0.84 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
Hydrochloric Acid SCHEMBL3938043 0.82 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL10510000 0.82 HTR1D (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL947340 0.82 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4HTR2AADRB2
Hydrochloric Acid SCHEMBL10513272 0.81 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4HTR2AADRB2
Hydrochloric Acid SCHEMBL10511305 0.81 HTR1D (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL7466842 0.80 KDM4E (0.42) SLC6A2SLC6A3SLC6A4HTR2AADRB2

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 11 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
EP-0858452-B1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-03-13 EP disclosed
US-6140330-A USEFUL AS PROTEIN KINASE INHIBITOR; FOR TREATMENT OF AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, MULTIPLE SCLEROSIS, PSORIASIS, ETC., VARIOUS ALLERGIC DISEASES SUCH AS CROHN'S DISEASE, ASTHMA OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 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 SLC6A2 1291/4885SLC6A3 2302/4885SLC6A4 853/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 SLC6A2 1291/4885SLC6A3 2302/4885SLC6A4 853/4885

“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.