SCHEMBL4716271

SCHEMBL4716271

CN(C)CC(=O)Nc1ccc2c(c1)CNC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.56
ITGA2B P08514 6/20 0.56
PARP1 P09874 3/20 0.52
ALDH1A1 P00352 1/20 0.48
TNKS O95271 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP12 Q9H0J9 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
MAPT P10636 2/20 0.48
NAMPT P43490 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 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
SCHEMBL7904909 0.83 RAB9A (0.67) ITGB3ITGA2BALDH1A1MAPTMEN1
SCHEMBL2333229 0.80 ITGB3 (0.60) ITGB3ITGA2BRAB9A
SCHEMBL13336896 0.79 ITGB3 (0.56) ITGB3ITGA2BALDH1A1MAPTKMT2A
SCHEMBL531907 0.78 CYP1A2 (0.55) ITGB3ITGA2BRAB9A
Hydrochloric Acid SCHEMBL4761772 0.76 ITGB3 (0.55) ITGB3ITGA2BRAB9A
SCHEMBL14067235 0.76 NAMPT (0.61) PARP1ALDH1A1MAPTNAMPTMEN1
SCHEMBL12501320 0.76 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL4712303 0.75 MEN1 (0.54) ITGB3ITGA2BMEN1KMT2A
SCHEMBL14625858 0.75 NAMPT (0.54) PARP1ALDH1A1TNKSPARP15PARP14
SCHEMBL29606520 0.74 ITGB3 (0.54) ITGB3ITGA2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 ITGB3 3427/4885ITGA2B 4588/4885PARP1 1909/4885
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 ITGB3 4824/4885ITGA2B 4820/4885PARP1 3563/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 ITGB3 3576/4885ITGA2B 4445/4885PARP1 1590/4885

“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.