SCHEMBL4333716

SCHEMBL4333716

O=C(O)[C@@H]1CCCN1CCOc1cc(Cl)ccc1Sc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.83
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4333719 1.00 SLC6A9 (0.83) SLC6A9MEN1KMT2ALTA4HKDM4E
Hydrochloric Acid SCHEMBL4343476 0.99 SLC6A9 (0.81) SLC6A9MEN1KMT2ALTA4HKDM4E
Hydrochloric Acid SCHEMBL4343468 0.99 SLC6A9 (0.81) SLC6A9MEN1KMT2ALTA4HKDM4E
SCHEMBL4340259 0.91 SLC6A9 (1.00) SLC6A9MEN1KMT2A
SCHEMBL4340254 0.91 SLC6A9 (1.00) SLC6A9MEN1KMT2A
Hydrochloric Acid SCHEMBL4335819 0.90 SLC6A9 (0.98) SLC6A9MEN1KMT2A
Hydrochloric Acid SCHEMBL4335826 0.90 SLC6A9 (0.98) SLC6A9MEN1KMT2A
SCHEMBL4336388 0.89 SLC6A9 (0.80) SLC6A9LTA4HKDM4ENPY1RNPY2R
SCHEMBL4336393 0.89 SLC6A9 (0.80) SLC6A9LTA4HKDM4ENPY1RNPY2R
SCHEMBL4344894 0.88 SLC6A9 (1.00) SLC6A9KDM4ENPY1RNPY2RSMN1; SMN2

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 6 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

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 2305/4885MEN1 4728/4885KMT2A 1552/4885

“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.