SCHEMBL5635196

SCHEMBL5635196

CC(=O)OC(=O)[C@@H](N)Cc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
FAP Q12884 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
RAB9A P51151 1/20 0.43
TPH1 P17752 1/20 0.42
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
CYP2A6 P11509 1/20 0.41
GPR142 Q7Z601 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 0.39
EPHX1 P07099 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL5569674 0.86 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL14938754 0.86 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL16060347 0.86 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL5109806 0.85 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5569670 0.85 ALDH1A1 (0.49) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL16060346 0.85 ALDH1A1 (0.49) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5569672 0.85 ALDH1A1 (0.49) DPP4FAPDPP8DPP9DPP7
SCHEMBL6161194 0.85 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5148984 0.84 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5112988 0.84 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084250-B2 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-08-01 US disclosed
EP-1254159-B9 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDYLALANINAMIDES SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-28 EP disclosed
EP-1254159-B1 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDYLALANINAMIDES SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-10 EP disclosed
US-20040225109-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides AVENTIS PHARMA DEUTSCHLAND GMBH 2004-11-11 US disclosed
EP-1254159-A2 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDINIOALANINAMIDES Aventis Pharma Deutschland GmbH (DE) 2002-11-06 EP disclosed
EP-0868526-B1 PROCESS FOR PREPARING N-ACETYL(L)-4-CYANOPHENYLALANINE Ac-(L)-Phe(4-CN)-OH AND N-ACETYL-(L)-p-AMIDINOPHENYLALANINE-CYCLOHEXYLGLYCINE-BETA-(3-N-METHYLPYRIDINIUM)-ALANINE Ac-(L)-pAph-Chg-PalMe(3)-NH2 AVENTIS PHARMA INC (US) 2002-08-14 EP disclosed
US-20010031858-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 US disclosed
WO-2001055175-A2 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDINIOALANINAMIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-02 WO disclosed
EP-0868526-A1 NOVEL PROCESS FOR PREPARING N-ACETYL(L)-4-CYANOPHENYLALANINE Ac-(L)-Phe(4-CN)-OH AND N-ACETYL-(L)-p-AMIDINOPHENYLALANINE-CYCLOHEXYLGLYCINE-$g(b)-(3-N-METHYLPYRIDINIUM)-ALANINE Ac-(L)-pAph-Chg-PalMe(3)-NH 2? HOECHST MARION ROUSSEL, INC. (US) 1998-10-07 EP disclosed
WO-1997022712-A1 NOVEL PROCESS FOR PREPARING N-ACETYL(L)-4-CYANOPHENYLALANINE Ac-(L)-Phe(4-CN)-OH AND N-ACETYL-(L)-p-AMIDINOPHENYLALANINE-CYCLOHEXYLGLYCINE-β-(3-N-METHYLPYRIDINIUM)-ALANINE Ac-(L)-pAph-Chg-PalMe(3)-NH¿2? HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO 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-20040225109-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SERPINC1, F12, F11 DPP4 525/4885FAP 649/4885DPP8 697/4885
US-20010031858-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SERPINC1, F12, F11 DPP4 525/4885FAP 649/4885DPP8 697/4885

“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.