SCHEMBL5863976

SCHEMBL5863976

Oc1cccc(CNc2ccc(OCCN3CCCC3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.73
KDR P35968 2/20 0.58
HRH3 Q9Y5N1 1/20 0.57
CACNA1B Q00975 7/20 0.57
HTT P42858 1/20 0.53
CACNA1H O95180 1/20 0.52

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
SCHEMBL5864113 0.86 LTA4H (0.73) LTA4HHRH3CACNA1BCACNA1H
SCHEMBL5864319 0.85 LTA4H (0.76) LTA4HHRH3CACNA1BCACNA1H
Hydrochloric Acid SCHEMBL5863881 0.84 LTA4H (0.74) LTA4HHRH3CACNA1BCACNA1H
SCHEMBL5175647 0.83 LTA4H (0.60) LTA4HKDRHRH3HTT
SCHEMBL5863974 0.82 KDR (0.59) LTA4HKDRHTT
SCHEMBL16585870 0.81 LTA4H (0.66) LTA4HHRH3CACNA1BHTT
SCHEMBL5863955 0.79 LTA4H (0.57) LTA4HKDRHRH3
SCHEMBL5863965 0.78 LTA4H (0.69) LTA4HHRH3CACNA1BHTT
SCHEMBL5863811 0.77 LTA4H (0.55) LTA4HKDR
SCHEMBL7436764 0.77 LTA4H (0.71) LTA4HKDRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US claimed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP claimed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US claimed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO claimed
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 LTA4H 1687/4885KDR 1077/4885HRH3 1036/4885

“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.