SCHEMBL5863370

SCHEMBL5863370

c1cc(OC2CCCCO2)ccc1CNc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.61
HRH3 Q9Y5N1 5/20 0.54
CACNA1B Q00975 11/20 0.53
CACNA1H O95180 3/20 0.52
KCNH2 Q12809 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46

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
SCHEMBL5863673 0.89 LTA4H (0.59) LTA4HHRH3CACNA1BCACNA1HKCNH2
SCHEMBL5863728 0.87 LTA4H (0.51) LTA4HHRH3CACNA1BCACNA1HKCNH2
SCHEMBL5863302 0.84 LTA4H (0.47) LTA4HHRH3CACNA1BCACNA1HKCNH2
SCHEMBL5863641 0.84 LTA4H (0.54) LTA4HHRH3CACNA1BCACNA1HKCNH2
SCHEMBL5863794 0.83 LTA4H (0.46) LTA4HHRH3CACNA1BKCNH2PSMB1
SCHEMBL5864259 0.81 MCHR1 (0.55) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL5863669 0.81 PSMB1 (0.49) LTA4HHRH3KCNH2PSMB1PSMB5
SCHEMBL5863815 0.80 HIF1A (0.45) LTA4HHRH3
SCHEMBL5863688 0.80 RAB9A (0.52)
SCHEMBL7264789 0.80 HRH3 (0.50) LTA4HHRH3

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 4 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 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 1687/4885HRH3 1036/4885CACNA1B 1176/4885

“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.