SCHEMBL16673151

SCHEMBL16673151

CCOC(=O)N[C@@H](Cc1ccccc1)CN1CCC[C@@H]1OC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.41
CTRB1 P17538 3/20 0.41
GAA P10253 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE P12821 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL16692005 0.85 MMEL1 (0.54) MMEL1L3MBTL1ATMCTRB1MEN1
SCHEMBL18065507 0.85 MMEL1 (0.54) MMEL1L3MBTL1ATMCTRB1MEN1
SCHEMBL6599770 0.74 GAA (0.47) GAAMEN1KMT2A
SCHEMBL5916354 0.73 KLK5 (0.60) ATMKMT2AACE
SCHEMBL8647459 0.72 KLK5 (0.61) MMEL1ATMKMT2AACE
SCHEMBL8647455 0.72 KLK5 (0.61) MMEL1ATMKMT2AACE
SCHEMBL7269454 0.72 KLK5 (0.61) MMEL1ATMKMT2AACE
SCHEMBL7267752 0.71 ACE (0.60) ATMKMT2AACE
SCHEMBL7393230 0.71 ACE (0.60) ATMKMT2AACE
SCHEMBL19645374 0.70 CTRB1 (0.48) CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066065-B1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID AMIDES, DI-, TRI- OR POLYPEPTIDES OR PEPTIDE AMIDES EVONIK DEGUSSA GMBH (DE) 2019-06-19 EP disclosed
EP-2868643-A1 Catalytic hydrogenation for the preparation of amines from carboxylic acid amides, carboxylic acid amides, di-, tri- or polypeptides or peptide amides Evonik Industries AG (DE) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 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 (1 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B MMEL1 560/4885L3MBTL1 3877/4885ATM 3884/4885

“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.