SCHEMBL4089545

SCHEMBL4089545

Brc1ccc(CCCON2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
HRH1 P35367 3/20 0.43
SLC6A2 P23975 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
CHRM4 P08173 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21658672 0.83 HRH3 (0.59) HRH3SLC6A3SIGMAR1HTR2CSMN1; SMN2
Hydrochloric Acid SCHEMBL6418151 0.81 HRH3 (0.58) HRH3HRH1SLC6A2SLC6A3SIGMAR1
SCHEMBL4094366 0.80 HRH3 (0.40) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL4094139 0.75 ALDH1A1 (0.50) HRH3L3MBTL1NPC1HPGDSMN1; SMN2
SCHEMBL28981203 0.72 ELOVL1 (0.50) HRH3SCN5ASIGMAR1TAAR1
SCHEMBL28893555 0.72 TAAR1 (0.50) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL2326201 0.72 LTA4H (0.64) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL6627983 0.69 HRH3 (0.71) HRH3HRH1SLC6A3ATML3MBTL1
SCHEMBL6740350 0.69 TAAR1 (0.46) L3MBTL1SIGMAR1NPC1SMN1; SMN2HTR2A
SCHEMBL4858 0.69 TAAR1 (0.47) SLC6A4L3MBTL1SIGMAR1NPC1SMN1; SMN2

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 9 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
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-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
EP-1717234-A1 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 HRH3 1/4885HRH1 3/4885SLC6A2 486/4885

“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.