SCHEMBL1006435

SCHEMBL1006435

O=C=NCCCCCCCCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.68
MIF P14174 4/20 0.68
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SIGMAR1 Q99720 7/20 0.47
TRPA1 O75762 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2A13 Q16696 1/20 0.46
EPAS1 Q99814 1/20 0.46
MAOA P21397 2/20 0.45
HTR3A P46098 1/20 0.44
MAOB P27338 2/20 0.44

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
SCHEMBL11240241 1.00 NAAA (0.68) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL4332687 1.00 NAAA (0.68) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL380832 1.00 NAAA (0.68) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL425325 0.98 MIF (0.67) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL1149239 0.92 MIF (0.66) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL10687867 0.92 NAAA (0.58) NAAAMIFSIGMAR1HIF1A
SCHEMBL1580115 0.90 NAAA (0.57) NAAAMIFMAPTRXFP1
SCHEMBL1580425 0.90 NAAA (0.56) NAAAMIF
SCHEMBL331162 0.88 MIF (0.52) NAAAMIFHIF1AMAOB
Diphenylmethane SCHEMBL28176599 0.86 MIF (0.50) NAAAMIFTRPA1CYP2E1CYP2A6

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 NAAA 335/4885MIF 3109/4885MAPT 935/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 NAAA 335/4885MIF 3109/4885MAPT 935/4885

“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.