SCHEMBL1008376

SCHEMBL1008376

c1ccc(CCOCCCCCCCCCOC2CCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4C Q9H3R0 1/20 0.49
OPRM1 P35372 3/20 0.42
OPRK1 P41145 2/20 0.40
OPRD1 P41143 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MGLL Q99685 1/20 0.37

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
SCHEMBL1008487 0.94 MEN1 (0.54) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL9574209 0.94 MEN1 (0.53) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL14469419 0.92 MEN1 (0.55) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL8500626 0.92 MEN1 (0.55) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL30416895 0.90 MEN1 (0.53) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL6879618 0.90 KDM4C (0.58) MEN1KMT2AKDM4COPRM1OPRK1
SCHEMBL22787023 0.88 MEN1 (0.52) MEN1KMT2AKDM4COPRM1L3MBTL1
SCHEMBL21069119 0.88 MEN1 (0.52) MEN1KMT2AKDM4COPRM1L3MBTL1
SCHEMBL21068591 0.88 MEN1 (0.52) MEN1KMT2AKDM4COPRM1L3MBTL1
SCHEMBL22787030 0.88 MEN1 (0.52) MEN1KMT2AKDM4COPRM1L3MBTL1

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