SCHEMBL6016877

SCHEMBL6016877

CC(C)(C)C(C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
KCNN4 O15554 7/20 0.46
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4120569 0.85 MAPT (0.61) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL14354433 0.82 MAPT (0.50) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL8000052 0.78 MAPT (0.63) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL17591690 0.77 CYP3A4 (0.53) MAPTKMT2ACYP1A2LMNA
SCHEMBL2781433 0.77 MAPT (0.68) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL29159698 0.77 MAPT (0.68) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL368343 0.77 MAPT (1.00) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL4989125 0.77 MAPT (0.61) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL18650576 0.77 CES1 (0.53) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL11602590 0.76 MAPT (0.65) MAPTKMT2AKCNN4CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015184317-A1 PHARMACEUTICAL COMPOSITION WITH IONICALLY CROSSLINKED POLYMER ENCAPSULATION OF ACTIVE INGREDIENT ALLEN ERIC (US) 2015-12-03 WO claimed
US-20260027068-A1 METHODS OF ADMINISTERING R-KETAMINE PERCEPTION NEUROSCIENCE INC (US) 2026-01-29 US disclosed
US-11426367-B2 Methods of treating substance abuse PERCEPTION NEUROSCIENCE, INC. (US) 2022-08-30 US disclosed
WO-2015184317-A1 PHARMACEUTICAL COMPOSITION WITH IONICALLY CROSSLINKED POLYMER ENCAPSULATION OF ACTIVE INGREDIENT ALLEN ERIC (US) 2015-12-03 WO disclosed
WO-2014178065-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2014-11-06 WO disclosed
WO-2012155090-A2 HIGH SENSITIVITY MASS SPECTROMETRY SYSTEMS ILLINOIS STATE UNIVERSITY (US) 2012-11-15 WO disclosed
EP-1709029-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2006-10-11 EP disclosed
WO-2005075455-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2005-08-18 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-11426367-B2 Methods of treating substance abuse OPRK1, TACR2, SLC6A3 MAPT 1363/4885KMT2A 640/4885KCNN4 1150/4885
US-20260027068-A1 METHODS OF ADMINISTERING R-KETAMINE SNCA, OPRD1, OPRK1 MAPT 18/4885KMT2A 1022/4885KCNN4 946/4885

“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.