SCHEMBL5909293

SCHEMBL5909293

Cc1ccc(C(=O)N2CCCC2C)cn1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
HPGD P15428 1/20 0.63
GRM5 P41594 3/20 0.59
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
GABRA5 P31644 1/20 0.51
ALDH1A1 P00352 2/20 0.50
VNN1 O95497 2/20 0.50
LMNA P02545 2/20 0.50
HRH3 Q9Y5N1 4/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL5909188 1.00 GAA (0.63) GAAHPGDGRM5CA12CA1
SCHEMBL5909226 1.00 GAA (0.63) GAAHPGDGRM5CA12CA1
SCHEMBL5909260 0.84 HPGD (0.61) GAAHPGDGRM5CA12CA1
SCHEMBL5909301 0.84 GAA (0.61) GAAHPGDGRM5CA12CA1
SCHEMBL5909277 0.83 ALDH1A1 (0.60) CA2CNR1CNR2ALDH1A1LMNA
SCHEMBL6275232 0.83 ALDH1A1 (0.60) CA2CNR1CNR2ALDH1A1LMNA
SCHEMBL5909256 0.83 HPGD (0.56) GAAHPGDGRM5CA12CA1
SCHEMBL5909273 0.82 HPGD (0.62) GAAHPGDGRM5CA12CA1
SCHEMBL5909303 0.82 GAA (0.58) GAAHPGDGRM5CA12CA1
SCHEMBL5909255 0.82 VNN1 (0.52) GRM5CNR1CNR2GABRA5ALDH1A1

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-20030195195-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 US claimed
US-20030195192-A1 Nicotinamides having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 US claimed
US-20060030557-A1 Substituted pyridines having antiangiogenic activity HAVIV FORTUNA 2006-02-09 US disclosed
EP-1494672-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2005-01-12 EP disclosed
US-20040014744-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2004-01-22 US disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 WO disclosed
US-20030195195-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 US disclosed
US-20030195192-A1 Nicotinamides having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 US 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 (4 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-20040014744-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR GAA 1798/4885HPGD 261/4885GRM5 3409/4885
US-20030195195-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR GAA 1798/4885HPGD 261/4885GRM5 3409/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 GAA 1379/4885HPGD 190/4885GRM5 2486/4885
US-20030195192-A1 Nicotinamides having antiangiogenic activity NAMPT, NNT, SIRT1 GAA 1205/4885HPGD 45/4885GRM5 3601/4885

“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.