SCHEMBL5909282

SCHEMBL5909282

CC1CCCN1C(=O)c1ccc(CCCCCCC#N)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
GRM5 P41594 1/20 0.45
HRH3 Q9Y5N1 7/20 0.44
GABRA5 P31644 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
LMNA P02545 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
VNN1 O95497 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39

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
SCHEMBL5909254 0.87 GAA (0.51) GAAHPGDGRM5HRH3
SCHEMBL24080818 0.76 GAA (0.65) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909077 0.76 GAA (0.57) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909226 0.73 GAA (0.63) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909293 0.73 GAA (0.63) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909188 0.73 GAA (0.63) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909260 0.72 HPGD (0.61) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909301 0.72 GAA (0.61) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909298 0.71 GAA (0.53) GAAHPGDGRM5HRH3GABRA5
SCHEMBL5909073 0.71 GAA (0.50) GAAHPGDGRM5HRH3GABRA5

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-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
US-20040014744-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2004-01-22 US 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.