SCHEMBL4689799

SCHEMBL4689799

O=C(CCCCCBr)N1Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
NAMPT P43490 8/20 0.50
HTR1A P08908 4/20 0.49
DRD2 P14416 4/20 0.49
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NOTUM Q6P988 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 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
SCHEMBL28500343 0.91 HDAC3 (0.66) HDAC3HDAC1HDAC10HDAC11NAMPT
SCHEMBL29367172 0.89 HDAC3 (0.63) HDAC3HDAC1HDAC10HDAC11NAMPT
SCHEMBL6580790 0.83 HDAC3 (0.71) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL550056 0.82 HDAC3 (0.56) HDAC3HDAC1HDAC10HDAC11NAMPT
SCHEMBL24815803 0.80 NOTUM (0.55) HDAC3HDAC1HDAC10HDAC11NAMPT
SCHEMBL6232316 0.79 DPP8 (0.58) HDAC3HDAC1HDAC10HDAC11NAMPT
SCHEMBL5068881 0.78 NOTUM (0.53) HDAC3HDAC1HDAC10HDAC11NAMPT
SCHEMBL28893796 0.78 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC11NAMPT
SCHEMBL5380082 0.77 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL24817140 0.77 NOTUM (0.52) HDAC3HDAC1HDAC10HDAC11NAMPT

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
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO 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 (1 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-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR HDAC3 756/4885HDAC1 2433/4885HDAC10 2438/4885

“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.