SCHEMBL5347316

SCHEMBL5347316

CCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
POLB P06746 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TACR1 P25103 4/20 0.38
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CCR8 P51685 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
TACR3 P29371 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL5347681 0.92 HTT (0.42) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL5346892 0.91 HTT (0.41) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL5346731 0.90 TACR1 (0.43) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL5342019 0.90 HTT (0.40) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL14590865 0.90 HTT (0.40) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL5337354 0.90 HTT (0.40) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL5347709 0.89 POLB (0.40) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL5353821 0.89 POLB (0.40) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL5344532 0.89 POLB (0.40) HTTPOLBCYP3A4CYP2C19HPGD
SCHEMBL6320870 0.89 ASAH1 (0.40) HTTPOLBCYP3A4CYP2C19KMT2A

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 10 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-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 HTT 3742/4885POLB 465/4885CYP3A4 1111/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885POLB 465/4885CYP3A4 1111/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885POLB 465/4885CYP3A4 1111/4885

“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.