SCHEMBL5115199

SCHEMBL5115199

CC1CCCCN1C(=O)N(Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.43
PRSS1 P07477 4/20 0.43
F10 P00742 2/20 0.43
PTGES O14684 1/20 0.42
AKT1 P31749 3/20 0.41
DCUN1D1 Q96GG9 1/20 0.40
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MCHR1 Q99705 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
DRD2 P14416 1/20 0.38
ADORA2A P29274 2/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37

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
SCHEMBL5110818 0.87 F2 (0.47) F2PRSS1F10PTGESDCUN1D1
SCHEMBL5111851 0.85 PTGES (0.46) F2PRSS1F10PTGESAKT1
SCHEMBL14289384 0.85 PTGES (0.44) F2PRSS1F10PTGESAKT1
SCHEMBL14289387 0.79 DPP7 (0.48) F2PRSS1F10DCUN1D1DPP4
SCHEMBL14289410 0.79 GRM5 (0.45) PTGESAKT1HRH3CTSLCTSB
Hydrochloric Acid SCHEMBL5106297 0.78 DPP7 (0.47) F2PRSS1F10DCUN1D1DPP4
Hydrochloric Acid SCHEMBL5106295 0.78 DPP7 (0.47) F2PRSS1F10DCUN1D1DPP4
SCHEMBL5118521 0.76 F2 (0.74) F2PRSS1F10
SCHEMBL5109171 0.75 F2 (0.75) F2PRSS1F10
SCHEMBL5103191 0.71 F2 (0.45) F2PRSS1F10DCUN1D1MEP1A

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-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
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
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 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 3/4885PRSS1 63/4885F10 56/4885
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 F2 3/4885PRSS1 34/4885F10 57/4885

“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.