SCHEMBL5353310

SCHEMBL5353310

CCC1(C)CC(NC(=O)CCC(=O)O)C(C)C(C)(CC)N1OC(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
FFAR1 O14842 1/20 0.32
CYP3A4 P08684 5/20 0.31
CYP2C19 P33261 5/20 0.31
CYP2C9 P11712 4/20 0.31
TSHR P16473 4/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
PRCP P42785 1/20 0.31
CYP1A2 P05177 2/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
POLB P06746 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
SCHEMBL5345145 0.94 HTT (0.34) HTTFFAR1CYP3A4CYP2C19KMT2A
SCHEMBL5341797 0.94 HTT (0.34) HTTFFAR1CYP3A4CYP2C19KMT2A
SCHEMBL27578300 0.94 ASAH1 (0.34) HTTFFAR1CYP3A4CYP2C19CYP2C9
SCHEMBL5341923 0.93 HTT (0.33) HTTCYP3A4CYP2C19CYP2C9TSHR
SCHEMBL5344111 0.93 ALDH1A1 (0.33) HTTCYP3A4CYP2C19CYP2C9TSHR
SCHEMBL14590810 0.92 NPSR1 (0.36) HTTCYP3A4CYP2C19CYP2C9KMT2A
SCHEMBL5342912 0.91 TACR1 (0.35) HTTCYP3A4CYP2C19CYP2C9TSHR
SCHEMBL5336861 0.91 MAPT (0.35) HTTCYP3A4CYP2C19TSHRALDH1A1
SCHEMBL6322560 0.91 ASAH1 (0.39) CYP3A4CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL6329147 0.90 ASAH1 (0.40) CYP3A4CYP2C19CYP2C9KMT2AALDH1A1

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 HTT 3742/4885FFAR1 389/4885CYP3A4 1111/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885FFAR1 389/4885CYP3A4 1111/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885FFAR1 389/4885CYP3A4 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.