SCHEMBL5794071

SCHEMBL5794071

CCc1cccc(C)c1N[C@H](C)COC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3466658 1.00 KDM4E (0.49) KDM4ENLRP3MEN1KMT2AGAA
SCHEMBL3466659 1.00 KDM4E (0.49) KDM4ENLRP3MEN1KMT2AGAA
SCHEMBL30776762 1.00 KDM4E (0.49) KDM4ENLRP3MEN1KMT2AGAA
SCHEMBL11227410 0.90 MEN1 (0.44) KDM4ENLRP3MEN1KMT2AGAA
SCHEMBL6882581 0.87 KDM4E (0.45) KDM4EATMALDH1A1TDP1CYP2D6
SCHEMBL8012133 0.87 KDM4E (0.45) KDM4EATMALDH1A1TDP1CYP2D6
SCHEMBL4975113 0.87 KDM4E (0.45) KDM4EATMALDH1A1TDP1CYP2D6
SCHEMBL11434002 0.86 NLRP3 (0.45) KDM4ENLRP3MEN1KMT2APTGS2
SCHEMBL15423242 0.83 PTGS2 (0.44) KDM4ENLRP3MEN1KMT2AGAA
SCHEMBL16998575 0.83 PTGS2 (0.44) KDM4ENLRP3MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892877-B1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL SCIENT IND RES (IN) 2017-06-21 EP disclosed
US-9199930-B2 Process for the preparation of (S)-2-ethyl-N-(1-methoxypropan-2-yl)-6-methyl aniline COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-12-01 US disclosed
US-9199930-B2 Process for the preparation of (S)-2-ethyl-N-(1-methoxypropan-2-yl)-6-methyl aniline COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-12-01 US disclosed
US-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-08-13 US disclosed
US-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-08-13 US disclosed
WO-2014037962-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 WO disclosed
EP-2041150-B1 DIPHOSPHINE LIGANDS SOLVIAS AG (CH) 2011-10-26 EP disclosed
US-20110054217-A1 HYDROGENATION OF IMINES UNITED PHOSPHORUS LIMITED (IN) 2011-03-03 US disclosed
US-20110054217-A1 HYDROGENATION OF IMINES UNITED PHOSPHORUS LIMITED (IN) 2011-03-03 US disclosed
WO-2009136409-A2 HYDROGENATION OF IMINES UNITED PHOSPHORUS LIMITED (IN) 2009-11-12 WO disclosed
WO-2008000815-A1 DIPHOSPHINE LIGANDS SOLVIAS AG (CH) 2008-01-03 WO disclosed
WO-2007135179-A1 CHIRAL LIGANDS USED IN TRANSITION METAL CATALYSTS FOR ASYMMETRIC ADDITION REACTIONS ESPECIALLY HYDROGENATION SOLVIAS AG (CH) 2007-11-29 WO disclosed
WO-2006003194-A1 PROCESS FOR PREPARING AMINES AND A CARBOXAMIDE THEREOF SOLVIAS AG (CH) 2006-01-12 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 (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-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE AZI2, HTR2A, HTR1B KDM4E 205/4885NLRP3 3111/4885MEN1 1088/4885
US-20110054217-A1 HYDROGENATION OF IMINES KMO, HPD, HRH3 KDM4E 779/4885NLRP3 4164/4885MEN1 1170/4885

“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.