SCHEMBL4338281

SCHEMBL4338281

O=C(O)C1CCCN1CCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 1.00
HTR7 P34969 2/20 0.41
CD274 Q9NZQ7 4/20 0.41
PDCD1 Q15116 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
SCHEMBL4338278 1.00 SLC6A9 (1.00) SLC6A9HTR7CD274PDCD1
Hydrochloric Acid SCHEMBL4342592 0.99 SLC6A9 (0.98) SLC6A9HTR7CD274PDCD1
Hydrochloric Acid SCHEMBL4342585 0.99 SLC6A9 (0.98) SLC6A9HTR7CD274PDCD1
SCHEMBL4348242 0.92 SLC6A9 (1.00) SLC6A9
SCHEMBL4348244 0.92 SLC6A9 (1.00) SLC6A9
SCHEMBL4329181 0.92 SLC6A9 (0.84) SLC6A9
SCHEMBL4329173 0.92 SLC6A9 (0.84) SLC6A9
SCHEMBL4344586 0.92 SLC6A9 (0.84) SLC6A9
SCHEMBL4344591 0.92 SLC6A9 (0.84) SLC6A9
Hydrochloric Acid SCHEMBL4344561 0.92 SLC6A9 (0.98) SLC6A9

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-20150141462-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING DRUG ADDICTION AND PREVENTING A DRUG RELAPSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
WO-2013188465-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING DRUG ADDICTION AND PREVENTING A DRUG RELAPSE ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF, ARIZONA STATE UNIVERSITY (US) 2013-12-19 WO disclosed
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 2305/4885HTR7 85/4885CD274 4228/4885

“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.