SCHEMBL4090432

SCHEMBL4090432

ClCCCOc1ccc(-c2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.72
CYP3A4 P08684 5/20 0.72
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
HSD17B10 Q99714 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 5/20 0.49
CYP19A1 P11511 4/20 0.49
HRH1 P35367 4/20 0.48
HRH2 P25021 3/20 0.48
HRH3 Q9Y5N1 3/20 0.48
AAK1 Q2M2I8 2/20 0.46
S1PR1 P21453 1/20 0.45

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
SCHEMBL27796930 0.87 CYP2D6 (0.53) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL11096825 0.87 CYP3A4 (0.52) CYP2D6CYP3A4NPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL7452248 0.85 CYP2D6 (0.52) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL14129958 0.84 CYP2D6 (1.00) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL11093336 0.80 KCNA3 (0.52) CYP2D6KDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL31621357 0.79 CYP2D6 (0.89) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL9650447 0.79 CYP2D6 (0.89) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL9804775 0.79 CYP2D6 (0.66) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL31621352 0.79 CYP2D6 (0.89) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL14901529 0.79 ALDH1A1 (0.56) CYP2D6CYP3A4NPC1RAB9AHSD17B10

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 13 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
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
CN-101258138-B Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands BIOPROJET SOC CIV 2013-06-12 CN 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-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
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
CN-101258138-A Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands BIOPROJET SOC CIV (FR) 2008-09-03 CN 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 CYP2D6 1736/4885CYP3A4 2341/4885NPC1 1068/4885

“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.