SCHEMBL4331288

SCHEMBL4331288

CCC(CO)N(C)CC(=O)OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30

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
SCHEMBL4331172 0.81
SCHEMBL4335844 0.79 CYP2D6 (0.35) CYP2D6
SCHEMBL4335841 0.79 CYP2D6 (0.35) CYP2D6
SCHEMBL4343022 0.79 CYP2D6 (0.35) CYP2D6
SCHEMBL14593257 0.76 CA12 (0.36) CYP2D6
SCHEMBL14593030 0.76 CA12 (0.33) CYP2D6
SCHEMBL4334771 0.76 CYP2D6 (0.36) CYP2D6
SCHEMBL13981283 0.76 CYP2D6 (0.38) CYP2D6
SCHEMBL17931620 0.75 ACACB (0.37)
SCHEMBL17571449 0.75 HDAC6 (0.33)

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-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 CYP2D6 75/4885

“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.