SCHEMBL5344406

SCHEMBL5344406

CCC1(C)CC(OC(=O)C=CC(=O)O)C(C)C(C)(CC)N1OC(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
NR1I2 O75469 1/20 0.30
ABCB11 O95342 1/20 0.30
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
REN P00797 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
SCHEMBL14590795 1.00 HCAR2 (0.43) HCAR2POLBNPSR1CYP2D6KMT2A
SCHEMBL5343544 0.93 HCAR2 (0.35) HCAR2POLBNPSR1CYP2D6KMT2A
SCHEMBL5343541 0.93 HCAR2 (0.35) HCAR2POLBNPSR1CYP2D6KMT2A
SCHEMBL14590801 0.89 HCAR2 (0.32) HCAR2CYP2D6KMT2ALMNANR1I2
SCHEMBL886987 0.87 KMT2A (0.36) CYP2D6KMT2ALMNANR1I2ABCB11
SCHEMBL27570117 0.86 CYP2D6 (0.33) CYP2D6KMT2ALMNANR1I2ABCB11
SCHEMBL5340543 0.86 CYP3A4 (0.34) POLBNPSR1CYP2D6KMT2ALMNA
SCHEMBL5336900 0.86 BCHE (0.35) CYP2D6KMT2ALMNANR1I2ABCB11
SCHEMBL14590798 0.85 BCHE (0.39) KMT2A
SCHEMBL5341659 0.84 SLC18A3 (0.37) NPSR1CYP2D6KMT2ALMNANR1I2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US claimed
US-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2003-09-04 US claimed
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. 2003-04-03 US claimed
US-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 US disclosed
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2005-06-30 US disclosed
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. 2003-04-03 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 (3 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-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HCAR2 846/4885POLB 465/4885NPSR1 3032/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HCAR2 846/4885POLB 465/4885NPSR1 3032/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HCAR2 846/4885POLB 465/4885NPSR1 3032/4885

“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.