SCHEMBL6276757

SCHEMBL6276757

CCCNC(=O)C(C)(C)NC(C)(C)COC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN3A Q9NY46 1/20 0.36
EPHX1 P07099 3/20 0.34
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ACHE P22303 6/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL6286532 0.78 KDM4C (0.43) KDM4CEPHX1MEN1KMT2AMMP1
SCHEMBL6284337 0.76 ALDH1A1 (0.42) FAAHHTR1ACYP2D6SCN1ASLC6A3
SCHEMBL12059916 0.72 FAAH (0.33) FAAHKDM4CALDH1A1LMNAHSD17B10
SCHEMBL24920455 0.70 ALDH1A1 (0.40) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL25027534 0.70 KDM4C (0.50) KDM4CEPHX1MEN1KMT2AL3MBTL1
SCHEMBL12733375 0.69 KDM4C (0.48) KDM4CEPHX1ALDH1A1MEN1KMT2A
SCHEMBL2293893 0.66 KDM4C (0.48) KDM4CEPHX1ALDH1A1KMT2AL3MBTL1
SCHEMBL10884084 0.65 ALDH1A1 (0.39) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL6281963 0.65 EPHX1 (0.53) KDM4CEPHX1MEN1KMT2AACHE
SCHEMBL22645790 0.65 KDM4C (0.40) KDM4CHTR1ACYP2D6SCN1ASLC6A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841703-B2 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-11 US disclosed
EP-1100772-B1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SC HOLDING AG (CH) 2004-04-14 EP disclosed
US-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6518326-B1 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 US disclosed
EP-1100772-A1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS Ciba SC Holding AG (CH) 2001-05-23 EP disclosed
WO-2000007981-A1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-02-17 WO 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 (1 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-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators ALOX5, PTGER1, ALOX12 FAAH 942/4885KDM4C 668/4885HTR1A 762/4885

“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.