SCHEMBL5883065

SCHEMBL5883065

[CH2]COc1c(/C=C/c2ccccc2)cc(Cl)cc1CC(=O)OCNc1ccc(C(=N)N)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 2/20 0.33
PLAU P00749 2/20 0.33
PLAT P00750 2/20 0.33
PLG P00747 1/20 0.33
KLK1 P06870 1/20 0.33
F10 P00742 15/20 0.32
F2 P00734 7/20 0.32
PRSS1 P07477 7/20 0.32
PRSS2 P07478 4/20 0.32
PRSS3 P35030 4/20 0.32
F7 P08709 3/20 0.32

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
SCHEMBL5882582 0.84 MRGPRX1 (0.38) MRGPRX1PLAUPLGF10F2
SCHEMBL5883519 0.82 PTGDR2 (0.35) MRGPRX1PLAUPLATF10F2
SCHEMBL5883068 0.77 F10 (0.42) F10F2PRSS1PRSS2PRSS3
SCHEMBL5882093 0.75 F2 (0.38) MRGPRX1PLAUPLATPLGF10
SCHEMBL5882868 0.72 F2 (0.36) MRGPRX1PLAUPLATPLGKLK1
SCHEMBL5882849 0.70 IDO1 (0.36)
SCHEMBL5882908 0.68 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL5882915 0.68 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL5882586 0.64 F7 (0.45) MRGPRX1F10F2PRSS1PRSS2
SCHEMBL5882374 0.64 F7 (0.43) F10F2PRSS1PRSS2PRSS3

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-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
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP 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
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (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 MRGPRX1 625/4885PLAU 2693/4885PLAT 2954/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MRGPRX1 625/4885PLAU 2693/4885PLAT 2954/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MRGPRX1 625/4885PLAU 2693/4885PLAT 2954/4885

“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.