SCHEMBL4093997

SCHEMBL4093997

C[n+]1ccc(-c2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LSS P48449 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP19A1 P11511 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARB P10826 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL11096825 0.84 CYP3A4 (0.52) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4089643 0.81 CYP3A4 (0.41) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
Iodide SCHEMBL31621375 0.81 RARB (0.56) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
Iodide SCHEMBL31621366 0.81 RARB (0.56) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
Iodide SCHEMBL31621376 0.81 RARB (0.56) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4098362 0.79 DRD2 (0.55) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL11093336 0.77 KCNA3 (0.52) CYP2D6ALDH1A1GAASLC22A2SLC22A1
SCHEMBL14901529 0.76 ALDH1A1 (0.56) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL9056407 0.76 LSS (0.61) ALDH1A1LSSNPC1RAB9AKCNH2
SCHEMBL4089033 0.75 DRD4 (0.51) CYP3A4CYP2D6ALDH1A1LSS

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 7 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-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
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

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 CYP2C9 1879/4885CYP2C19 1193/4885CYP1A2 1330/4885

“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.