SCHEMBL5336900

SCHEMBL5336900

CCC(=O)OC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
CYP2D6 P10635 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 3/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
S1PR5 Q9H228 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
S1PR1 P21453 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5341659 0.92 SLC18A3 (0.37) BCHECYP2D6KMT2ALMNANR1I2
SCHEMBL5342197 0.91 FFAR1 (0.33) CYP2D6KMT2ALMNANR1I2ABCB11
SCHEMBL886987 0.91 KMT2A (0.36) BCHECYP2D6KMT2ALMNANR1I2
SCHEMBL14590785 0.90 BCHE (0.39) BCHEKMT2ACTSVCTSLCTSB
SCHEMBL5345464 0.90 CA12 (0.33) BCHEOPRM1OPRK1CYP2D6LMNA
SCHEMBL5340543 0.90 CYP3A4 (0.34) CYP2D6KMT2ALMNANR1I2ABCB11
SCHEMBL27570117 0.90 CYP2D6 (0.33) OPRM1OPRK1CYP2D6KMT2ALMNA
SCHEMBL5343162 0.89 BCHE (0.32) BCHECYP2D6KMT2ALMNANR1I2
SCHEMBL5345608 0.89 BCHE (0.36) BCHECTSVCTSLCTSBCTSS
SCHEMBL14590796 0.89 BCHE (0.32) BCHECYP2D6KMT2ALMNANR1I2

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 12 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
CN-1319590-A 2,2,6,6, diethyl-dimethy-1-alkoxy-piperidine compound and 1-oxide CIBA SC HOLDING AG (CH) 2001-10-31 CN 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-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-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-6891008-B2 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2005-05-10 US disclosed
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed
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 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 BCHE 4189/4885OPRM1 18/4885OPRD1 19/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 BCHE 4189/4885OPRM1 18/4885OPRD1 19/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 BCHE 4189/4885OPRM1 18/4885OPRD1 19/4885

“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.