SCHEMBL5883504

SCHEMBL5883504

C=Cc1cc(CN2CCCC2)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PRSS3 P35030 1/20 0.39
CCR2 P41597 1/20 0.38
USP14 P54578 1/20 0.38
MLLT1 Q03111 1/20 0.37
SLC2A1 P11166 1/20 0.37
PRKAA2 P54646 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C9 P11712 2/20 0.34

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
SCHEMBL5882841 0.84 FAAH (0.41) FAAHF2F10PRSS1PRSS2
SCHEMBL5883180 0.84 F7 (0.56) F2F10PRSS1PRSS2F7
SCHEMBL5882322 0.83 PRSS1 (0.45) F2F10PRSS1PRSS2F7
Hydrochloric Acid SCHEMBL5882602 0.83 F7 (0.55) F2F10PRSS1PRSS2F7
SCHEMBL7886639 0.83 FAAH (0.39) FAAHCCR2USP14MLLT1SLC2A1
SCHEMBL5882721 0.81 F7 (0.50) FAAHF2F10PRSS1PRSS2
SCHEMBL5882398 0.80 FAAH (0.38) FAAHCCR2USP14MLLT1SLC2A1
SCHEMBL5882172 0.79 PRSS1 (0.42) F2F10PRSS1PRSS2F7
SCHEMBL5882390 0.76 F10 (0.48) F2F10PRSS1PRSS2F7
SCHEMBL5884007 0.75 F10 (0.54) F2F10PRSS1PRSS2F7

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 FAAH 3181/4885F2 371/4885F10 520/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS FAAH 3181/4885F2 371/4885F10 520/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS FAAH 3181/4885F2 371/4885F10 520/4885

“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.