SCHEMBL4714009

SCHEMBL4714009

CC(C)(C)OC(=O)NCc1ccc2c(c1)CN(C(=O)C1CCC(N)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.51
HDAC1 Q13547 4/20 0.40
NR1H2 P55055 1/20 0.39
DRD2 P14416 1/20 0.38
ROCK2 O75116 1/20 0.37
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 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
SCHEMBL4714007 1.00 NAMPT (0.51) NAMPTHDAC1NR1H2DRD2ROCK2
SCHEMBL4711157 0.84 ERCC1 (0.45) NAMPTHDAC1ALDH1A1
SCHEMBL4711151 0.84 ERCC1 (0.45) NAMPTHDAC1ALDH1A1
SCHEMBL7041618 0.82 NAMPT (0.58) NAMPTHDAC1NR1H2GRM2DPP8
SCHEMBL4713825 0.82 ALDH1A1 (0.50) NAMPTDRD2ALDH1A1L3MBTL1
SCHEMBL4713823 0.82 ALDH1A1 (0.50) NAMPTDRD2ALDH1A1L3MBTL1
SCHEMBL14590787 0.81 NAMPT (0.60) NAMPTHDAC1NR1H2GRM2DPP8
Hydrochloric Acid SCHEMBL6803714 0.81 DPP8 (0.44) NAMPTHDAC1ALDH1A1DPP8
SCHEMBL4714005 0.80 NAMPT (0.39) NAMPTROCK2GRM2ALDH1A1LMNA
SCHEMBL10163839 0.77 NR1H2 (0.52) NAMPTNR1H2DRD2ROCK2GRM2

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
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

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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 NAMPT 984/4885HDAC1 267/4885NR1H2 166/4885
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 NAMPT 1166/4885HDAC1 184/4885NR1H2 172/4885

“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.