SCHEMBL1008375

SCHEMBL1008375

Fc1cccc(CCOCCCCCCCOC2CCCCO2)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4C Q9H3R0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNA5 P22460 1/20 0.35
SCN5A Q14524 1/20 0.35
PKM P14618 1/20 0.33
P2RX3 P56373 2/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
DHFR P00374 1/20 0.30
GRM5 P41594 1/20 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
SCHEMBL7690214 0.81 KDM4C (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL6000386 0.80 MEN1 (0.48) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL30306335 0.78 KMT2A (0.41) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL1008376 0.77 MEN1 (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL9673310 0.76 KDM4C (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL22922185 0.76 MEN1 (0.54) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL48021 0.75 OPRM1 (0.41) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL9574209 0.75 MEN1 (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL1008487 0.75 MEN1 (0.54) KMT2AMEN1KDM4CL3MBTL1
SCHEMBL29666343 0.74 TAAR1 (0.40) KMT2A

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 KMT2A 731/4885MEN1 2587/4885KDM4C 1718/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 KMT2A 731/4885MEN1 2587/4885KDM4C 1718/4885

“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.