SCHEMBL5338552

SCHEMBL5338552

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 2/20 0.31
LMNA P02545 2/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
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
CHRM2 P08172 4/20 0.30
CHRM4 P08173 4/20 0.30
CHRM5 P08912 4/20 0.30
CHRM1 P11229 4/20 0.30
CHRM3 P20309 4/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
SCHEMBL886987 0.90 KMT2A (0.36) KMT2ATSHRALDH1A1CYP2D6LMNA
SCHEMBL7127396 0.89 KMT2A (0.34) KMT2AALDH1A1CYP2D6LMNANR1I2
SCHEMBL14590794 0.89 KMT2A (0.34) KMT2ATSHRALDH1A1CYP2D6LMNA
SCHEMBL5336900 0.87 BCHE (0.35) KMT2ACYP2D6LMNANR1I2ABCB11
SCHEMBL27570117 0.87 CYP2D6 (0.33) KMT2ACYP2D6LMNANR1I2ABCB11
SCHEMBL5340543 0.87 CYP3A4 (0.34) KMT2ATSHRALDH1A1CYP2D6LMNA
SCHEMBL14590801 0.86 HCAR2 (0.32) KMT2ATSHRCYP2D6LMNANR1I2
SCHEMBL14590798 0.86 BCHE (0.39) KMT2ATSHRCHRM2CHRM4CHRM1
SCHEMBL5348395 0.85 BCHE (0.36) KMT2ATSHRALDH1A1CYP2D6LMNA
SCHEMBL5341659 0.85 SLC18A3 (0.37) KMT2ACYP2D6LMNANR1I2ABCB11

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 9 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-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-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 KMT2A 1595/4885TSHR 4818/4885ALDH1A1 310/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 KMT2A 1595/4885TSHR 4818/4885ALDH1A1 310/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 KMT2A 1595/4885TSHR 4818/4885ALDH1A1 310/4885

“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.