SCHEMBL4089643

SCHEMBL4089643

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
GPR84 Q9NQS5 3/20 0.40
HRH3 Q9Y5N1 5/20 0.39
LSS P48449 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP19A1 P11511 2/20 0.38

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) CYP3A4CYP2D6HRH3LSSCYP2C9
SCHEMBL4093997 0.81 CYP2C9 (0.45) CYP3A4CYP2D6LSSCYP2C9CYP2C19
SCHEMBL9647296 0.81 RARB (0.56) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL11093336 0.77 KCNA3 (0.52) CYP2D6HRH3SMN1; SMN2
SCHEMBL9056407 0.76 LSS (0.61) HRH3LSSHDAC3HDAC4HDAC1
SCHEMBL14901529 0.76 ALDH1A1 (0.56) CYP3A4CYP2D6HRH3LSSCYP2C9
SCHEMBL4083967 0.75 HRH3 (0.77) HRH3
SCHEMBL12517392 0.75 LTA4H (0.55) CYP3A4CYP2D6CYP2C19CYP1A2HDAC6
SCHEMBL4089033 0.75 DRD4 (0.51) CYP3A4CYP2D6HRH3LSS
SCHEMBL4098362 0.75 DRD2 (0.55) CYP3A4CYP2D6LSSCYP2C9CYP2C19

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 CYP3A4 2341/4885CYP2D6 1736/4885GPR84 18/4885

“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.