SCHEMBL4335886

SCHEMBL4335886

O=C(O)C1CCCN1CCOc1ccccc1Oc1ccc(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.56
LTA4H P09960 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 1/20 0.41
PTGER4 P35408 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL4335880 1.00 SLC6A9 (0.56) SLC6A9LTA4HSMN1; SMN2FFAR1PTGER4
SCHEMBL4334212 0.89 SLC6A9 (0.62) SLC6A9LTA4H
SCHEMBL4334221 0.89 SLC6A9 (0.62) SLC6A9LTA4H
SCHEMBL4338562 0.87 SLC6A9 (0.61) SLC6A9LTA4HSMN1; SMN2
SCHEMBL4338565 0.87 SLC6A9 (0.61) SLC6A9LTA4HSMN1; SMN2
SCHEMBL4338045 0.87 SLC6A9 (0.68) SLC6A9
SCHEMBL4338040 0.87 SLC6A9 (0.68) SLC6A9
SCHEMBL4343134 0.85 SLC6A9 (0.58) SLC6A9LTA4HSMN1; SMN2FFAR1
SCHEMBL4343143 0.85 SLC6A9 (0.58) SLC6A9LTA4HSMN1; SMN2FFAR1
SCHEMBL12055969 0.76 LTA4H (0.61) SLC6A9LTA4HPTGER4

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-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US claimed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US claimed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP claimed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 WO claimed
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT SLC6A9 2305/4885LTA4H 3640/4885SMN1; SMN2 1849/4885

“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.