SCHEMBL5883357

SCHEMBL5883357

COc1cc(Br)c(C2OCC(C)(C)CO2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PRKDC P78527 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL515378 0.83 HTR2C (0.45) HTR2AHTR2CTP53NPC1RAB9A
SCHEMBL29654713 0.83 HTR2C (0.45) HTR2AHTR2CTP53NPC1RAB9A
SCHEMBL5882385 0.77 HTR2A (0.39) HTR2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5881922 0.76 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AMEN1ALDH1A1
SCHEMBL642956 0.75 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APOLBL3MBTL1
SCHEMBL28632183 0.74 HTR2C (0.42) HTR2AHTR2CTP53PRKDCPOLB
SCHEMBL7127647 0.74 SMN1; SMN2 (0.42) TP53SMN1; SMN2NPC1RAB9APOLB
SCHEMBL2960423 0.74 LMNA (0.40) HTR2AHTR2CTP53SMN1; SMN2POLB
SCHEMBL18840154 0.72 HTR2A (0.38) HTR2AHTR2CTP53NPC1RAB9A
SCHEMBL28595423 0.72 SMN1; SMN2 (0.38) HTR2AHTR2CSMN1; SMN2NPC1RAB9A

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 HTR2A 2708/4885HTR2C 1784/4885TP53 1487/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS HTR2A 2708/4885HTR2C 1784/4885TP53 1487/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS HTR2A 2708/4885HTR2C 1784/4885TP53 1487/4885

“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.