Sugi Predict

Sugi Predict / Compounds / SCHEMBL5343395

SCHEMBL5343395

SCHEMBL5343395

CCC1(CC)CC(NC(=O)c2ccc(C(=O)OC)cc2)CC(C)(C)N1OC(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.40
▸ TSHR P16473 5/20 0.40
▸ EZH2 Q15910 6/20 0.40
▸ CYP2C19 P33261 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL5341114 0.93 EZH2 (0.43) EZH2GAAKDM4ENPSR1HTT
SCHEMBL5347870 0.92 MEN1 (0.37) CYP3A4TSHREZH2ALDH1A1L3MBTL1
SCHEMBL5344713 0.86 POLB (0.38) CYP3A4TSHRCYP2C19ALDH1A1GAA
SCHEMBL5344532 0.86 POLB (0.40) CYP3A4TSHRCYP2C19ALDH1A1CYP1A2
SCHEMBL5353821 0.86 POLB (0.40) CYP3A4TSHRCYP2C19GAAKDM4E
SCHEMBL5346731 0.85 TACR1 (0.43) CYP3A4TSHRCYP2C19SMN1; SMN2LMNA
SCHEMBL5336108 0.85 POLB (0.37) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL5345275 0.85 TSHR (0.50) CYP3A4TSHRCYP2C19ALDH1A1GAA
SCHEMBL5347316 0.84 HTT (0.43) CYP3A4TSHRCYP2C19KDM4ECYP1A2
SCHEMBL5347709 0.84 POLB (0.40) CYP3A4TSHRCYP2C19GAAKDM4E

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 CYP3A4 1111/4885TSHR 4818/4885EZH2 2075/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 CYP3A4 1111/4885TSHR 4818/4885EZH2 2075/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 CYP3A4 1111/4885TSHR 4818/4885EZH2 2075/4885

“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.