SCHEMBL7472371

SCHEMBL7472371

O=C(O)CC1CCN(CCC=C2c3ccccc3OCOc3ccccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
SIGMAR1 Q99720 1/20 0.42
HRH1 P35367 5/20 0.42
TBXA2R P21731 2/20 0.42
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
Hydrochloric Acid SCHEMBL7464493 0.99 LTA4H (0.46) LTA4HSIGMAR1HRH1TBXA2RHPGD
SCHEMBL7474744 0.88 LTA4H (0.48) LTA4HSIGMAR1HRH1TBXA2RHPGD
SCHEMBL7562506 0.86 LTA4H (0.40) LTA4HHRH1TBXA2RADRA1A
SCHEMBL7603812 0.85 LTA4H (0.46) LTA4HSIGMAR1HRH1TBXA2RADRA1D
Hydrochloric Acid SCHEMBL7472385 0.85 LTA4H (0.39) LTA4HHRH1TBXA2RADRA1A
Hydrochloric Acid SCHEMBL8181412 0.84 LTA4H (0.46) LTA4HSIGMAR1HRH1TBXA2RADRA1D
SCHEMBL7603305 0.82 LTA4H (0.45) LTA4HSIGMAR1HRH1TBXA2RADRA1D
SCHEMBL7468711 0.82 SIGMAR1 (0.46) LTA4HSIGMAR1HRH1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7467890 0.81 SLC6A1 (0.45) LTA4HSIGMAR1HRH1ADRA1DADRA1A
SCHEMBL7466181 0.81 SLC6A1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP claimed
US-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis LUBRIZOL CORPORATION, THE 2002-04-18 US claimed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP claimed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO claimed
US-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis LUBRIZOL CORPORATION, THE 2002-04-18 US disclosed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP disclosed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 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 (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-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis VEGFA, KDR, FLT4 LTA4H 434/4885SIGMAR1 3144/4885HRH1 1274/4885

“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.