SCHEMBL5103191

SCHEMBL5103191

CC1CCN(C(=O)N(Cc2cccc(C#N)c2)NC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
MGLL Q99685 2/20 0.43
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
FAAH O00519 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
KDM1A O60341 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CCR5 P51681 2/20 0.40
KCNH2 Q12809 1/20 0.40
GRM5 P41594 1/20 0.39
DRD4 P21917 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL5116905 0.87 DPP7 (0.49) F2SLC6A2SLC6A4SLC6A3F10
SCHEMBL14289384 0.86 PTGES (0.44) F2SLC6A2SLC6A4SLC6A3F10
SCHEMBL5110818 0.83 F2 (0.47) F2SLC6A2SLC6A4SLC6A3F10
SCHEMBL5454035 0.83 KDM1A (0.46) F2SLC6A2SLC6A4SLC6A3F10
Hydrochloric Acid SCHEMBL5105273 0.82 KDM1A (0.45) F2SLC6A2SLC6A4SLC6A3F10
Hydrochloric Acid SCHEMBL5105276 0.82 KDM1A (0.45) F2SLC6A2SLC6A4SLC6A3F10
SCHEMBL5103963 0.79 F2 (0.73) F2F10PRSS1LMNA
SCHEMBL5109515 0.76 F2 (0.74) F2F10PRSS1
SCHEMBL5111851 0.75 PTGES (0.46) F2SLC6A2SLC6A4SLC6A3F10
SCHEMBL6823459 0.74 NPSR1 (0.44) F2PRSS1NPSR1

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 F2 3/4885SLC6A2 2354/4885SLC6A4 2066/4885
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 F2 3/4885SLC6A2 2493/4885SLC6A4 2208/4885

“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.