SCHEMBL5342912

SCHEMBL5342912

CCC(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.35
HTT P42858 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
CYP3A4 P08684 6/20 0.32
TSHR P16473 6/20 0.32
CYP2C9 P11712 5/20 0.32
CYP2C19 P33261 5/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
CCR8 P51685 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL5341923 0.92 HTT (0.33) HTTMTNR1AMTNR1BCYP3A4TSHR
SCHEMBL5353310 0.91 HTT (0.33) HTTCYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5349603 0.91 TACR1 (0.36) TACR1HTTCYP3A4TSHRCYP2C9
SCHEMBL14590810 0.91 NPSR1 (0.36) HTTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7108040 0.90 HTT (0.32) TACR1HTTCYP3A4TSHRCYP2C9
SCHEMBL5338461 0.90 CYP3A4 (0.35) HTTCYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5346055 0.90 KMT2A (0.32) HTTCYP3A4TSHRCYP2C9CYP2C19
SCHEMBL6322560 0.90 ASAH1 (0.39) CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL5344111 0.90 ALDH1A1 (0.33) HTTCYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5341797 0.90 HTT (0.34) HTTCYP3A4CYP2C19ALDH1A1KMT2A

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 3742/4885MTNR1A 3734/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 TACR1 3487/4885HTT 3742/4885MTNR1A 3734/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 TACR1 3487/4885HTT 3742/4885MTNR1A 3734/4885

“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.