SCHEMBL1021345

SCHEMBL1021345

N#Cc1ccc(N2C3CCC2CC(N)C3)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 6/20 0.42
GPR119 Q8TDV5 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 1/20 0.39
PARP1 P09874 1/20 0.39
CYP11B2 P19099 1/20 0.38
PANK3 Q9H999 1/20 0.37
PTPN11 Q06124 2/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
FLT3 P36888 1/20 0.36

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
SCHEMBL22570975 0.85 RET (0.47) RETKDM4EALDH1A1L3MBTL1GPR119
SCHEMBL9923396 0.85 KDM4E (0.49) RETKDM4EALDH1A1L3MBTL1GPR119
SCHEMBL24296015 0.85 RET (0.47) RETKDM4EALDH1A1L3MBTL1GPR119
SCHEMBL26301186 0.83 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GPR119CHRM2
SCHEMBL9920486 0.82 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1GPR119
SCHEMBL9920174 0.82 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1GPR119
SCHEMBL31464951 0.81 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1GPR119
SCHEMBL2177892 0.81 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1GPR119
SCHEMBL27424678 0.81 KDM4E (0.46) RETKDM4EALDH1A1L3MBTL1GPR119
Hydrochloric Acid SCHEMBL12539841 0.79 KDM4E (0.45) RETKDM4EALDH1A1L3MBTL1GPR119

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
US-20110118305-A1 COMPOUNDS SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
EP-1517907-B1 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7781455-B2 Compounds SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes SANOFI-AVENTIS (FR) 2005-07-14 US disclosed
EP-1517907-A2 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY Sanofi-Aventis (FR) 2005-03-30 EP disclosed
WO-2003106456-A2 NEW COMPOUNDS SANOFI-SYNTHELABO (FR) 2003-12-24 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-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes DPP4, DPP8, DPP3 RET 2412/4885KDM4E 458/4885ALDH1A1 558/4885
US-20110118305-A1 COMPOUNDS DPP4, DPP3, DPP8 RET 1156/4885KDM4E 765/4885ALDH1A1 599/4885

“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.