SCHEMBL4328752

SCHEMBL4328752

O=C(O)C1CCCN1CCOc1ccccc1Sc1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.68
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
LTA4H P09960 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
SCHEMBL4328746 1.00 SLC6A9 (0.68) SLC6A9KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4343161 0.90 SLC6A9 (0.68) SLC6A9KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL1689503 0.90 SLC6A9 (0.68) SLC6A9KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4335567 0.90 SLC6A9 (0.72) SLC6A9KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4335562 0.90 SLC6A9 (0.72) SLC6A9KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4336388 0.87 SLC6A9 (0.80) SLC6A9KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4336393 0.87 SLC6A9 (0.80) SLC6A9KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4348210 0.83 SLC6A9 (0.79) SLC6A9KDM4ESMN1; SMN2ITGALLTA4H
SCHEMBL4329181 0.83 SLC6A9 (0.84) SLC6A9KDM4ESMN1; SMN2NPY1RNPY2R
SCHEMBL4348216 0.83 SLC6A9 (0.79) SLC6A9KDM4ESMN1; SMN2ITGALLTA4H

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 2305/4885KDM4E 1025/4885SMN1; 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.