Sugi Predict

Sugi Predict / Compounds / SCHEMBL5345671

SCHEMBL5345671

SCHEMBL5345671

CCNC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ CYP2D6 P10635 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ EPHX1 P07099 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ CYP3A4 P08684 6/20 0.34
▸ CYP2C9 P11712 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ BCHE P06276 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ KCNA5 P22460 1/20 0.33

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
SCHEMBL5345286 0.91 TSHR (0.40) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL5337501 0.90 TSHR (0.39) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL14590857 0.89 BCHE (0.42) TSHRKMT2ACYP2D6BCHEMAPK1
SCHEMBL5345766 0.89 NAAA (0.40) TSHRKMT2ABCHEACHE
SCHEMBL5344687 0.89 TSHR (0.41) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL5348730 0.88 EPHX1 (0.40) TSHRKMT2ALMNAEPHX1CYP3A4
SCHEMBL5342996 0.87 KMT2A (0.53) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL14590848 0.87 TSHR (0.40) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL5347557 0.86 KMT2A (0.41) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL5343004 0.86 TSHR (0.39) TSHRKMT2ACYP2D6LMNACYP3A4

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 TSHR 4818/4885KMT2A 1595/4885CYP2D6 182/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 TSHR 4818/4885KMT2A 1595/4885CYP2D6 182/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 TSHR 4818/4885KMT2A 1595/4885CYP2D6 182/4885

“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.