SCHEMBL2369217

SCHEMBL2369217

CCCCNC1CC(C)(C)N(OCC)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
GBA1 P04062 5/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
FUCA1 P04066 1/20 0.30
GLB1 P16278 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
SCHEMBL12517417 0.91 GNAI3 (0.35) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL893205 0.88 GNAI3 (0.33) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL2369632 0.86 GNAI3 (0.34) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL870983 0.85 GNAI3 (0.38) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL27907857 0.85 S1PR4 (0.35) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL12910969 0.83 ALDH1A1 (0.31) GNAI3GNAO1GNAI1
SCHEMBL8532351 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL9491106 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL26668878 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL6298166 0.82 S1PR4 (0.31) S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210828-A1 STERICALLY HINDERED AMINES BASF SE (DE) 2015-07-30 US disclosed
US-9045430-B2 Sterically hindered amines BASF SE (DE) 2015-06-02 US disclosed
EP-2542526-B1 Sterically hindered amines BASF SE (DE) 2015-05-13 EP disclosed
US-8471031-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-06-25 US disclosed
US-8471031-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-06-25 US disclosed
US-20130059952-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS BASF SE (DE) 2013-03-07 US disclosed
US-20130059952-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS BASF SE (DE) 2013-03-07 US disclosed
US-20130041076-A1 STERICALLY HINDERED AMINES BASF SE (DE) 2013-02-14 US disclosed
EP-2542526-A1 STERICALLY HINDERED AMINES BASF SE (DE) 2013-01-09 EP disclosed
WO-2011107513-A1 STERICALLY HINDERED AMINES BASF SE (DE) 2011-09-09 WO disclosed
WO-2011086114-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS BASF SE (DE) 2011-07-21 WO disclosed
EP-2035381-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2010-12-29 EP disclosed
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2010-09-30 US disclosed
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2010-09-30 US disclosed
WO-2008003602-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 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 (4 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-20150210828-A1 STERICALLY HINDERED AMINES CCNA1, C5, H1-0 GNAI3 3844/4885GNAO1 1584/4885GNAI1 2858/4885
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 GNAI3 3289/4885GNAO1 1257/4885GNAI1 3270/4885
US-20130059952-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS PFAS, PHOSPHO1, PIK3CA GNAI3 2148/4885GNAO1 1873/4885GNAI1 2771/4885
US-20130041076-A1 STERICALLY HINDERED AMINES CCNA1, C5, H1-0 GNAI3 3844/4885GNAO1 1584/4885GNAI1 2858/4885

“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.