SCHEMBL2138113

SCHEMBL2138113

CN(C)CCCNC(=O)C(C)(C)Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
P2RX4 Q99571 1/20 0.41
PAOX Q6QHF9 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2783100 0.88 SETD7 (0.44) DNM1KDM4EALDH1A1HPGDPOLB
SCHEMBL10201764 0.84 DNM1 (0.49) DNM1KDM4EALDH1A1HPGDPOLB
SCHEMBL3232022 0.84 DNM1 (0.42) DNM1KDM4EALDH1A1HPGDTSHR
SCHEMBL23922070 0.82 DNM1 (0.47) DNM1KDM4EALDH1A1HPGDPOLB
SCHEMBL14052421 0.82 PTGS1 (0.47) ALDH1A1POLBCA14MEN1KMT2A
SCHEMBL10734749 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPAOXCA14
SCHEMBL21222710 0.81 DNM1 (0.46) DNM1KDM4EALDH1A1HPGDPOLB
SCHEMBL280234 0.80 TDP1 (0.52) KDM4EALDH1A1HPGDPOLBCA14
SCHEMBL10879405 0.79 DNM1 (0.45) DNM1KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL22729366 0.79 DNM1 (0.45) DNM1KDM4EALDH1A1HPGDPOLB

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-20210316001-A1 AMINO-REACTIVE POSITIVELY CHARGED ATRP INITIATORS THAT MAINTAIN THEIR POSITIVE CHARGE DURING SYNTHESIS OF BIOMACRO-INITIATORS CARNEGIE MELLON UNIVERSITY 2021-10-14 US disclosed
US-7902368-B2 Cationic substituted 2,2,6,6-tetraalkylpiperidinyl alkoxyamines BASF SE (DE) 2011-03-08 US disclosed
US-20090306382-A1 CATIONIC ALKOXYAMINES MUEHLEBACH ANDREAS 2009-12-10 US disclosed
EP-1515950-B1 CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS BASF SE (DE) 2009-12-02 EP disclosed
US-7595359-B2 Organoclays; coatings, sealants, caulks, adhesives and plastic additives CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-09-29 US disclosed
US-20050215691-A1 Cationic alkoxyamines and their use in producing nano particles from natural or synthetic clays BASF SE (DE) 2005-09-29 US disclosed
CN-1662499-A Cationic alkoxyamines and their use in the preparation of nanoparticles from natural or synthetic clays CIBA SC HOLDING AG (CH) 2005-08-31 CN disclosed
EP-1515950-A1 CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS Ciba SC Holding AG (CH) 2005-03-23 EP disclosed
WO-2004000809-A1 CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-31 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-20090306382-A1 CATIONIC ALKOXYAMINES ALKBH2, ALKBH3, ALKBH5 DNM1 2754/4885KDM4E 284/4885ALDH1A1 2271/4885

“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.