SCHEMBL1006599

SCHEMBL1006599

CN(C)C[C@@H](CC(=O)O)NC(=O)CCCCCCCCOc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
MMEL1 Q495T6 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HDAC1 Q13547 6/20 0.42
HDAC2 Q92769 5/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL1006601 1.00 MME (0.46) MMEMMEL1SMN1; SMN2HDAC1HDAC2
SCHEMBL1005797 0.88 HDAC1 (0.54) HDAC1HDAC2ALDH1A1KDM4EKMT2A
SCHEMBL4296581 0.88 HDAC1 (0.54) HDAC1HDAC2ALDH1A1KDM4EKMT2A
SCHEMBL1009242 0.88 HDAC1 (0.54) HDAC1HDAC2ALDH1A1KDM4EKMT2A
SCHEMBL1005796 0.88 HDAC1 (0.54) HDAC1HDAC2ALDH1A1KDM4EKMT2A
SCHEMBL1008046 0.87 KDM4E (0.51) MMESMN1; SMN2HDAC1HDAC2ALDH1A1
SCHEMBL1008048 0.87 KDM4E (0.51) MMESMN1; SMN2HDAC1HDAC2ALDH1A1
SCHEMBL1007575 0.87 GPR34 (0.42) SMN1; SMN2HDAC1HDAC2HDAC8HDAC6
SCHEMBL1007577 0.87 GPR34 (0.42) SMN1; SMN2HDAC1HDAC2HDAC8HDAC6
SCHEMBL1008001 0.87 ITGB3 (0.42) MMEMMEL1SMN1; SMN2HDAC1HDAC2

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-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP claimed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US claimed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US claimed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP claimed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO claimed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 US claimed
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 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 (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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 MME 3231/4885MMEL1 2067/4885SMN1; SMN2 721/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 MME 3231/4885MMEL1 2067/4885SMN1; SMN2 721/4885

“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.