SCHEMBL4299909

SCHEMBL4299909

OCCCCCCCCCOc1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PRMT1 Q99873 2/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL2780770 0.98 KDM4E (0.53) MEN1LMNAHTTKMT2AHRH3
SCHEMBL695974 0.91 DRD2 (0.50) MEN1LMNAHTTKMT2AHRH3
SCHEMBL19621751 0.89 PRMT1 (0.54) HRH3ALDH1A1DRD3CYP2D6L3MBTL1
SCHEMBL10731573 0.87 KCNA3 (0.55) HRH3ALDH1A1DRD3CYP2D6L3MBTL1
SCHEMBL10338308 0.87 MEN1 (0.60) MEN1LMNAHTTKMT2AHRH3
SCHEMBL8372315 0.86 ALDH1A1 (0.47) MEN1LMNAHTTKMT2AHRH3
SCHEMBL1677141 0.85 ALDH1A1 (0.60) MEN1LMNAHTTKMT2AKDM4E
SCHEMBL22091895 0.83 ALDH1A1 (0.52) HRH3ALDH1A1DRD3CYP2D6PRMT1
SCHEMBL22091892 0.83 LTA4H (0.55) HRH3ALDH1A1DRD3CYP2D6PRMT1
SCHEMBL9580924 0.83 ALDH1A1 (0.52) HRH3ALDH1A1DRD3CYP2D6PRMT1

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 4 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
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 2587/4885LMNA 1679/4885HTT 1964/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 MEN1 2587/4885LMNA 1679/4885HTT 1964/4885

“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.