SCHEMBL17945926

SCHEMBL17945926

CN(C)CCCN(C)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 2/20 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
SCHEMBL10064561 0.88 ALDH1A1 (0.33) ALDH1A1TSHRALOX15NPSR1
SCHEMBL17946111 0.88 ALDH1A1 (0.33) ALDH1A1ALOX15NPSR1
SCHEMBL6124306 0.84 ALOX15 (0.32) ALDH1A1ALOX15NPSR1
SCHEMBL11543220 0.82 CHRM2 (0.31) ALDH1A1ALOX15NPSR1
SCHEMBL22597519 0.81 DNM1 (0.40) ALDH1A1ALOX15NPSR1
SCHEMBL4092337 0.79 ADH1A (0.40) ALOX15
SCHEMBL20926094 0.78 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL13183386 0.78
SCHEMBL28397595 0.78 ALOX15 (0.38) ALOX15
SCHEMBL10586375 0.78 ALOX15 (0.36) ALDH1A1ALOX15NPSR1KCNH2

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
EP-3048097-B2 METHOD FOR PRODUCING AN N-METHYL SUBSTITUTED TRIACETONE AMINE COMPOUND EVONIK OPERATIONS GMBH (DE) 2021-12-01 EP disclosed
EP-3048097-B1 METHOD FOR PRODUCING AN N-METHYL SUBSTITUTED TRIACETONE AMINE COMPOUND EVONIK DEGUSSA GMBH (DE) 2019-04-24 EP disclosed
US-9617245-B2 Process for preparing an N-methyl-substituted triacetonamine compound EVONIK DEGUSSA GMBH (DE) 2017-04-11 US disclosed
US-9617245-B2 Process for preparing an N-methyl-substituted triacetonamine compound EVONIK DEGUSSA GMBH (DE) 2017-04-11 US disclosed
US-20160214962-A1 PROCESS FOR PREPARING AN N-METHYL-SUBSTITUTED TRIACETONAMINE COMPOUND EVONIK DEGUSSA GMBH (DE) 2016-07-28 US disclosed
US-20160214962-A1 PROCESS FOR PREPARING AN N-METHYL-SUBSTITUTED TRIACETONAMINE COMPOUND EVONIK DEGUSSA GMBH (DE) 2016-07-28 US 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-20160214962-A1 PROCESS FOR PREPARING AN N-METHYL-SUBSTITUTED TRIACETONAMINE COMPOUND HNMT, COMT, PNMT ALDH1A1 1129/4885TSHR 381/4885ALOX15 3446/4885

“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.