SCHEMBL16692005

SCHEMBL16692005

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.54
LTA4H P09960 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KLK5 Q9Y337 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ACE P12821 4/20 0.46
CTRB1 P17538 1/20 0.45
ACE2 Q9BYF1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL18065507 1.00 MMEL1 (0.54) MMEL1LTA4HMEN1KMT2APOLB
SCHEMBL8647455 0.87 KLK5 (0.61) MMEL1LTA4HKMT2AADORA3ADORA2A
SCHEMBL8647459 0.87 KLK5 (0.61) MMEL1LTA4HKMT2AADORA3ADORA2A
SCHEMBL7269454 0.87 KLK5 (0.61) MMEL1LTA4HKMT2AADORA3ADORA2A
SCHEMBL16673151 0.85 MMEL1 (0.45) MMEL1MEN1KMT2AACECTRB1
SCHEMBL371906 0.84 ALDH1A1 (0.55) MMEL1LTA4HPOLBADORA3ADORA2A
SCHEMBL378574 0.84 ALDH1A1 (0.55) MMEL1LTA4HPOLBADORA3ADORA2A
SCHEMBL7329010 0.81 ADORA3 (0.58) MMEL1POLBADORA3ADORA2AADORA2B
SCHEMBL8648992 0.81 ADORA3 (0.58) MMEL1POLBADORA3ADORA2AADORA2B
SCHEMBL8648996 0.81 ADORA3 (0.58) MMEL1POLBADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 US disclosed
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides EVONIK DEGUSSA GMBH (DE) 2016-09-22 US disclosed
WO-2015067450-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO 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

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-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides DAO, DDC, HDGF MMEL1 2061/4885LTA4H 4674/4885MEN1 297/4885

“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.