Sugi Predict

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SCHEMBL5338564

SCHEMBL5338564

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

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ TSHR P16473 5/20 0.31
▸ CYP3A4 P08684 4/20 0.31
▸ CYP2C9 P11712 4/20 0.31
▸ LMNA P02545 4/20 0.31
▸ CYP2C19 P33261 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NR1I2 O75469 1/20 0.30
▸ ABCB11 O95342 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
SCHEMBL5349603 0.89 TACR1 (0.36) TACR1HTTTSHRCYP3A4CYP2C9
SCHEMBL5342912 0.88 TACR1 (0.35) TACR1HTTTSHRCYP3A4CYP2C9
SCHEMBL7108040 0.88 HTT (0.32) TACR1HTTTSHRCYP3A4CYP2C9
SCHEMBL5346055 0.88 KMT2A (0.32) HTTTSHRCYP3A4CYP2C9LMNA
SCHEMBL5338461 0.88 CYP3A4 (0.35) HTTTSHRCYP3A4CYP2C9LMNA
SCHEMBL5347670 0.88 BTK (0.31) HTTTSHRCYP3A4CYP2C9LMNA
SCHEMBL7106979 0.87 CYP3A4 (0.36) TACR1HTTTSHRCYP3A4CYP2C9
SCHEMBL5353842 0.87 TDP1 (0.38) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL5341923 0.86 HTT (0.33) HTTTSHRCYP3A4CYP2C9LMNA
SCHEMBL5345375 0.86 KDM1A (0.34) HTTTSHRCYP3A4CYP2C9LMNA

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 TACR1 3487/4885HTT 3742/4885TSHR 4818/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 TACR1 3487/4885HTT 3742/4885TSHR 4818/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 TACR1 3487/4885HTT 3742/4885TSHR 4818/4885

“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.