SCHEMBL7106979

SCHEMBL7106979

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.36
CYP2C9 P11712 10/20 0.36
CYP2C19 P33261 9/20 0.36
TSHR P16473 8/20 0.36
CYP1A2 P05177 7/20 0.36
CYP2D6 P10635 6/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.31
TACR1 P25103 1/20 0.31
POLB P06746 1/20 0.31
SLC6A9 P48067 1/20 0.30
EPHX2 P34913 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
SCHEMBL5343252 0.91 LMNA (0.35) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5345375 0.91 KDM1A (0.34) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5348582 0.90 ALDH1A1 (0.38) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5349603 0.90 TACR1 (0.36) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5346055 0.89 KMT2A (0.32) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5338461 0.89 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL7108040 0.89 HTT (0.32) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5342912 0.89 TACR1 (0.35) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5353842 0.88 TDP1 (0.38) CYP3A4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL5340588 0.88 EPHX1 (0.43) CYP3A4CYP2C19TSHRSMN1; SMN2LMNA

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 7 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-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 (2 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 1111/4885CYP2C9 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 CYP3A4 1111/4885CYP2C9 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.