SCHEMBL5884236

SCHEMBL5884236

CCc1ccc(OCCN(C)C)c(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MMP2 P08253 1/20 0.36
MCHR1 Q99705 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RORC P51449 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CACNA1H O95180 1/20 0.35
F10 P00742 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35

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
SCHEMBL5883198 0.89 F10 (0.36) KDM4EF10PRSS1PRSS2F7
SCHEMBL5882381 0.88 PDGFRB (0.39) ALDH1A1MMP2F10PRSS1PRSS2
Acetic Acid SCHEMBL5882450 0.86 F10 (0.37) F10PRSS1PRSS2F7F3
SCHEMBL5883261 0.86 PTGES (0.37) F10PRSS1PRSS2F7F3
SCHEMBL5883257 0.86 PTGES (0.37) F10PRSS1PRSS2F7F3
SCHEMBL5883360 0.86 PTGDR2 (0.43) ALDH1A1F10PRSS1PRSS2F7
SCHEMBL5883628 0.86 PTGES (0.41) ALDH1A1KDM4ECYP1A2CYP2C19DRD2
SCHEMBL5883283 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10F10PRSS1
SCHEMBL5883631 0.86 PTGES (0.41) ALDH1A1KDM4ECYP1A2CYP2C19DRD2
SCHEMBL5882443 0.84 SIRT2 (0.36) MMP2F10PRSS1PRSS2F7

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 CACNA1B 507/4885ALDH1A1 2850/4885KDM4E 1998/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CACNA1B 507/4885ALDH1A1 2850/4885KDM4E 1998/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CACNA1B 507/4885ALDH1A1 2850/4885KDM4E 1998/4885

“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.