SCHEMBL3526460

SCHEMBL3526460

CC(C)N(C(=O)OCl)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 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
SCHEMBL304773 0.74 CA14 (0.37) BCHEALDH1A1
SCHEMBL306131 0.74 BCHE (0.31) BCHE
SCHEMBL12988855 0.72 TSHR (0.46) BCHEALDH1A1
SCHEMBL8985024 0.72 BCHE (0.33) BCHEALDH1A1
SCHEMBL304772 0.72 BCHE (0.33) BCHE
SCHEMBL25477680 0.72 BCHE (0.33) BCHE
SCHEMBL16965826 0.72 TSHR (0.33) BCHE
SCHEMBL304324 0.72 PKM (0.33) BCHEALDH1A1MEN1PKMKMT2A
SCHEMBL18940993 0.72 CHRM3 (0.36) BCHEALDH1A1MEN1KMT2A
SCHEMBL16965814 0.70 CHRNB2 (0.43) BCHEALDH1A1PKM

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 BCHE 2085/4885ALDH1A1 2787/4885MEN1 4561/4885

“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.