SCHEMBL1006764

SCHEMBL1006764

COC(=O)CCCCCCCCN(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MMP2 P08253 2/20 0.48
LTA4H P09960 1/20 0.47
HDAC6 Q9UBN7 2/20 0.45
BCHE P06276 1/20 0.44
LTB4R Q15722 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
TSHR P16473 2/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL31478356 0.98 LMNA (0.50) LMNAMMP2LTA4HHDAC6BCHE
SCHEMBL31478350 0.98 LMNA (0.50) LMNAMMP2LTA4HHDAC6BCHE
SCHEMBL31478349 0.98 LMNA (0.50) LMNAMMP2LTA4HHDAC6BCHE
SCHEMBL30826512 0.93 LTA4H (0.52) LMNAMMP2LTA4HBCHEMTNR1A
SCHEMBL9191054 0.88 KMT2A (0.50) LMNALTA4HMTNR1AMTNR1BTSHR
SCHEMBL1007940 0.85 HDAC6 (0.50) LMNAMMP2HDAC6BCHETSHR
SCHEMBL5170269 0.85 HDAC6 (0.50) LMNAMMP2HDAC6BCHETSHR
SCHEMBL18073570 0.85 HDAC6 (0.50) LMNAMMP2HDAC6BCHETSHR
SCHEMBL11015108 0.84 LMNA (0.47) LMNALTA4HHDAC6LTB4RTSHR
SCHEMBL21471472 0.84 MLYCD (0.43) LMNAHDAC6TSHR

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-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 LMNA 1679/4885MMP2 2796/4885LTA4H 1137/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 LMNA 1679/4885MMP2 2796/4885LTA4H 1137/4885

“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.