SCHEMBL5116905

SCHEMBL5116905

N#Cc1cccc(CN(NC(=O)O)C(=O)N2CCCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.49
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
FAAH O00519 1/20 0.45
F2 P00734 4/20 0.42
PRSS1 P07477 4/20 0.42
F10 P00742 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
AR P10275 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
LMNA P02545 1/20 0.39
MGLL Q99685 1/20 0.39
DPP4 P27487 2/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 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
SCHEMBL5103191 0.87 F2 (0.45) MEP1AMEP1BFAAHF2PRSS1
SCHEMBL5111851 0.84 PTGES (0.46) DPP7MEP1AMEP1BFAAHF2
SCHEMBL5110818 0.82 F2 (0.47) DPP7MEP1AMEP1BF2PRSS1
SCHEMBL14289388 0.81 DPP7 (0.53) DPP7MEP1AMEP1BFAAHCTSL
Hydrochloric Acid SCHEMBL5107306 0.80 DPP7 (0.52) DPP7MEP1AMEP1BFAAHCTSL
Hydrochloric Acid SCHEMBL5107311 0.80 DPP7 (0.52) DPP7MEP1AMEP1BFAAHCTSL
SCHEMBL5114785 0.77 F2 (0.71) F2PRSS1F10
SCHEMBL14289410 0.75 GRM5 (0.45) MEP1AMEP1BFAAHCTSLCTSB
SCHEMBL5115442 0.74 F2 (0.73) F2PRSS1F10
SCHEMBL14289384 0.74 PTGES (0.44) MEP1AMEP1BF2PRSS1F10

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
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
EP-1355894-B1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIV LJUBLJANI (SI) 2005-03-16 EP disclosed
US-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors UNIVERZA V LJUBLJANA (SI) 2004-03-11 US disclosed
EP-1355894-A1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) 2003-10-29 EP disclosed
WO-2002051824-A1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIVERZA V LJUBLJANI (DE) 2002-07-04 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-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors TFPI, SERPINC1, F2 DPP7 451/4885MEP1A 356/4885MEP1B 312/4885
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 DPP7 204/4885MEP1A 273/4885MEP1B 236/4885

“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.