SCHEMBL4089033

SCHEMBL4089033

ClCCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
NOS1 P29475 2/20 0.42
MAOB P27338 2/20 0.42
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
LSS P48449 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1776919 0.94 DRD4 (0.56) DRD4DRD2DRD3KDM4EATM
SCHEMBL11096825 0.89 CYP3A4 (0.52) CYP3A4CYP2D6HRH1LSSHRH3
SCHEMBL23893979 0.88 LTA4H (0.54) DRD4DRD2DRD3KDM4EMAPT
SCHEMBL2280839 0.85 DRD4 (0.53) DRD4DRD2DRD3KDM4EATM
SCHEMBL3446131 0.85 DRD4 (0.53) DRD4DRD2DRD3KDM4EATM
SCHEMBL832294 0.85 DRD4 (0.52) DRD4DRD2DRD3KDM4EATM
SCHEMBL7330936 0.83 CYP2D6 (0.63) DRD4DRD2DRD3KDM4ECYP3A4
SCHEMBL27536116 0.83 DRD4 (0.47) DRD4DRD2DRD3KDM4EMEN1
SCHEMBL17445905 0.82 ATM (0.60) DRD4DRD2DRD3KDM4EATM
SCHEMBL18235025 0.82 DRD4 (0.57) DRD4DRD2DRD3KDM4EATM

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-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 DRD4 933/4885DRD2 483/4885DRD3 628/4885

“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.