SCHEMBL5882358

SCHEMBL5882358

Cc1cc(OCCN2CCCC2)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
KCNA5 P22460 5/20 0.52
HRH3 Q9Y5N1 5/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
CACNA1B Q00975 2/20 0.42
CACNA1H O95180 1/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
PRSS3 P35030 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PTGER4 P35408 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL5882369 0.89 KCNA5 (0.46) KDM4EKCNA5HRH3HRH2HRH1
SCHEMBL5882375 0.84 F7 (0.62) KDM4EF10PRSS1PRSS2F7
SCHEMBL5882897 0.83 F10 (0.58) F10PRSS1PRSS2F7F3
SCHEMBL5883511 0.83 F10 (0.51) KDM4EKCNA5HRH3HRH2HRH1
SCHEMBL7422146 0.82 F10 (0.39) KDM4EKCNA5F10PRSS1PRSS2
SCHEMBL5883845 0.81 PDGFRB (0.43) KDM4EKCNA5PTGER4
SCHEMBL5883637 0.81 F7 (0.50) F10PRSS1PRSS2F7F3
SCHEMBL5882113 0.80 F10 (0.42) KDM4EF10PRSS1PRSS2F7
SCHEMBL5882721 0.80 F7 (0.50) HRH3F10PRSS1PRSS2F7
SCHEMBL5882821 0.79 PRSS1 (0.57) HRH3F10PRSS1PRSS2F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US 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 (3 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885KCNA5 889/4885HRH3 964/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885KCNA5 889/4885HRH3 964/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885KCNA5 889/4885HRH3 964/4885

“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.