SCHEMBL5883606

SCHEMBL5883606

O[C@H]1CC[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
CYP2D6 P10635 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CHRM3 P20309 4/20 0.33
KIF11 P52732 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A1 P30531 1/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL5883610 1.00 KCNA3 (0.36) KCNA3CYP2D6LMNAMEN1HRH1
SCHEMBL27480438 0.90 KIF11 (0.39) CYP2D6LMNAMEN1HRH1SCN1A
SCHEMBL13280375 0.80 SLC6A1 (0.44) CHRM3KEAP1NFE2L2ALDH1A1SLC6A1
SCHEMBL11041870 0.80 KEAP1 (0.39) CYP2D6LMNAHRH1CHRM3KIF11
SCHEMBL30972238 0.75 ALDH1A1 (0.46) MEN1KMT2ACHRM3ALDH1A1NPC1
SCHEMBL13470311 0.73 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2380764 0.73 KIF11 (0.42) KCNA3MEN1KMT2ACHRM3KIF11
SCHEMBL99028 0.73 KIF11 (0.42) KCNA3MEN1KMT2ACHRM3KIF11
SCHEMBL99301 0.72 KIF11 (0.49) KCNA3CYP2D6HRH1CHRM3KIF11
SCHEMBL99300 0.72 KIF11 (0.49) KCNA3CYP2D6HRH1CHRM3KIF11

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 KCNA3 1467/4885CYP2D6 2211/4885LMNA 2613/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KCNA3 1467/4885CYP2D6 2211/4885LMNA 2613/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KCNA3 1467/4885CYP2D6 2211/4885LMNA 2613/4885

“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.