SCHEMBL6028879

SCHEMBL6028879

Clc1ccc(OCc2ccccc2)c(-c2cc[nH]n2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.53
CYP2C9 P11712 2/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TBXA2R P21731 1/20 0.47
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3103763 0.84 L3MBTL1 (0.44) PTGER1SLC6A4
SCHEMBL28129013 0.83 BRD4 (0.54) PTGER1
SCHEMBL6448897 0.82 MAOB (0.48)
SCHEMBL5274716 0.81 PTGER1 (0.53) PTGER1CYP2C9SLC6A4
SCHEMBL28866549 0.77 MAOB (0.49) CYP3A4
SCHEMBL5095747 0.75 BACE1 (0.54) PTGER1CYP2C9SLC6A4TBXA2R
SCHEMBL2111464 0.75 PTGER1 (0.55) PTGER1CYP2C9TBXA2RCYP3A4
SCHEMBL2112850 0.74 PTGER1 (0.55) PTGER1CYP2C9TBXA2RCYP3A4
SCHEMBL4884388 0.74 PTGER1 (0.63) PTGER1CYP2C9SLC6A4TBXA2RCYP3A4
SCHEMBL6452344 0.74 TLR9 (0.51)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1894235-A N-(4-carbamimidoyl-benzyl) -2-alkoxy-2-heterocyclyl acetamides as inhibitors of the formation of coagulation factors xa, ixa and thrombin induced by factor viia HOFFMANN LA ROCHE (CH) 2007-01-10 CN disclosed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US 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 (1 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 PTGER1 625/4885CYP2C9 158/4885SLC6A4 3955/4885

“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.