SCHEMBL5909255

SCHEMBL5909255

Cc1ccc(C(=O)N2CCC[C@H]2CO)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.52
ROCK2 O75116 1/20 0.52
GRM5 P41594 5/20 0.51
GABRA5 P31644 2/20 0.51
SPHK2 Q9NRA0 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDK2 Q15119 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL5909196 1.00 VNN1 (0.52) VNN1ROCK2GRM5GABRA5SPHK2
SCHEMBL17600726 0.96 GRM5 (0.55) VNN1ROCK2GRM5GABRA5SPHK2
SCHEMBL17600723 0.96 GRM5 (0.55) VNN1ROCK2GRM5GABRA5SPHK2
SCHEMBL5908973 0.86 HRH3 (0.56) GRM5
SCHEMBL5909290 0.86 POLB (0.50) GRM5CNR1CNR2LMNAPOLB
SCHEMBL5909114 0.86 GRM5 (0.66) GRM5CNR1CNR2LMNAALDH1A1
SCHEMBL5909188 0.82 GAA (0.63) VNN1GRM5GABRA5CNR1CNR2
SCHEMBL5909293 0.82 GAA (0.63) VNN1GRM5GABRA5CNR1CNR2
SCHEMBL5909226 0.82 GAA (0.63) VNN1GRM5GABRA5CNR1CNR2
SCHEMBL5909206 0.82 CNR1 (0.50) ROCK2GRM5SPHK2CNR1CNR2

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 5 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-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 (3 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-20030195195-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR VNN1 2897/4885ROCK2 1417/4885GRM5 3409/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 VNN1 2577/4885ROCK2 1347/4885GRM5 2486/4885
US-20030195192-A1 Nicotinamides having antiangiogenic activity NAMPT, NNT, SIRT1 VNN1 141/4885ROCK2 2872/4885GRM5 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.