Sugi Predict

Sugi Predict / Compounds / SCHEMBL5340967

SCHEMBL5340967

SCHEMBL5340967

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 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
SCHEMBL5340961 1.00 HCAR2 (0.33) HCAR2CYP2C9CYP2C19OPRM1OPRD1
SCHEMBL5347067 0.93 HCAR2 (0.37) HCAR2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5347070 0.93 HCAR2 (0.37) HCAR2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5347670 0.88 BTK (0.31) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL5338461 0.87 CYP3A4 (0.35) CYP2C9CYP2C19MEN1KMT2AMAPT
SCHEMBL5343541 0.86 HCAR2 (0.35) HCAR2CYP2C9CYP2C19OPRM1OPRD1
SCHEMBL5343544 0.86 HCAR2 (0.35) HCAR2CYP2C9CYP2C19OPRM1OPRD1
SCHEMBL5349603 0.86 TACR1 (0.36) CYP2C9CYP2C19MEN1KMT2AMAPT
SCHEMBL5341696 0.85 CYP3A4 (0.32) CYP2C9CYP2C19MEN1KMT2ACYP1A2
SCHEMBL7108040 0.85 HTT (0.32) CYP2C9CYP2C19MEN1KMT2ACYP2D6

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 8 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-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 HCAR2 846/4885CYP2C9 1680/4885CYP2C19 2112/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HCAR2 846/4885CYP2C9 1680/4885CYP2C19 2112/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HCAR2 846/4885CYP2C9 1680/4885CYP2C19 2112/4885

“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.