SCHEMBL4900744

SCHEMBL4900744

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
APP P05067 4/20 0.53
AKT1 P31749 1/20 0.51
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
ACE P12821 1/20 0.47
SCN9A Q15858 2/20 0.47
SYK P43405 1/20 0.46
CCKAR P32238 2/20 0.45
CCKBR P32239 2/20 0.45
CYP3A4 P08684 1/20 0.45
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL12336762 1.00 ATM (0.60) ATMAPPAKT1CTSSCTSL
SCHEMBL4898325 1.00 ATM (0.60) ATMAPPAKT1CTSSCTSL
SCHEMBL2617222 0.93 CTSS (0.53) ATMAPPAKT1CTSSCTSL
SCHEMBL13162709 0.92 ATM (0.51) ATMAPPAKT1CTSSCTSL
SCHEMBL4728727 0.91 ATM (0.50) ATMAPPAKT1CTSSCTSK
SCHEMBL13919601 0.90 ATM (0.49) ATMAPPAKT1CTSSCTSL
SCHEMBL8233202 0.90 ATM (0.49) ATMAPPAKT1CYP3A4
SCHEMBL21447184 0.89 ATM (0.48) ATMAPPAKT1CTSSCTSL
SCHEMBL29688919 0.89 ATM (0.48) ATMAPPAKT1CTSSCTSL
SCHEMBL4783858 0.88 ATM (0.58) ATMAPPAKT1CTSSCTSL

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
CN-107709301-B Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2021-06-22 CN disclosed
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
CN-104024226-B Novel nicotinamide derivative or salt thereof FUJIFILM CORP. (JP) 2016-06-01 CN disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 WO disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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 (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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR ATM 45/4885APP 3143/4885AKT1 26/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 ATM 2788/4885APP 4072/4885AKT1 426/4885

“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.