SCHEMBL15515197

SCHEMBL15515197

CCc1cccc(C)c1NC[C@@H](O)COC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ NLRP3 Q96P20 1/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL15516099 1.00 MAPT (0.51) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL27754049 0.80 PTGS2 (0.46) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL27078153 0.78 NLRP3 (0.43) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL27078157 0.78 NLRP3 (0.43) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL30175030 0.78 NLRP3 (0.43) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL11477290 0.75 PTGS2 (0.42) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL3466658 0.75 KDM4E (0.49) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL5794071 0.75 KDM4E (0.49) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL30776762 0.75 KDM4E (0.49) MAPTNLRP3PTGS2KDM4EHSD17B10
SCHEMBL3466659 0.75 KDM4E (0.49) MAPTNLRP3PTGS2KDM4EHSD17B10

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 12 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 claimed
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 claimed
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 claimed
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-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
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
EP-2892877-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE Council of Scientific and Industrial Research (IN) 2015-07-15 — — EP 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

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-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE AZI2, HTR2A, HTR1B MAPT 4846/4885NLRP3 3111/4885PTGS2 1229/4885

“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.

Send feedback