SCHEMBL4094366

SCHEMBL4094366

N#CCc1ccc(CCCON2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.40
HRH1 P35367 3/20 0.40
SLC6A2 P23975 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
CHRM4 P08173 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4089545 0.80 HRH3 (0.43) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL21658672 0.79 HRH3 (0.59) HRH3SLC6A3SIGMAR1HTR2CALDH1A1
Hydrochloric Acid SCHEMBL6418151 0.78 HRH3 (0.58) HRH3HRH1SLC6A2SLC6A3SIGMAR1
SCHEMBL4094139 0.71 ALDH1A1 (0.50) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9039699 0.71 MAPT (0.45) HRH3ALDH1A1MEN1KMT2A
SCHEMBL28981203 0.69 ELOVL1 (0.50) HRH3SCN5ASIGMAR1
SCHEMBL12050655 0.69 HRH3 (0.71) HRH3HRH1
SCHEMBL12497577 0.68 CHKA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4010533 0.68 HRH3 (0.69) HRH3ALDH1A1SMN1; SMN2
SCHEMBL3272585 0.67 HRH3 (0.68) HRH3HRH1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US claimed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP claimed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO claimed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP claimed
EP-1717234-A1 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP claimed
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-20090312367-A1 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR BIOPROJET (FR) 2009-12-17 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
EP-2043624-A2 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR BIOPROJET (FR) 2009-04-08 EP disclosed
WO-2008009866-A2 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR BIOPROJET (FR) 2008-01-24 WO 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-1717234-A1 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP 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 (2 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
US-20090312367-A1 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR HRH3, HCRTR2, HCRTR1 HRH3 1/4885HRH1 5/4885SLC6A2 259/4885

“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.