SCHEMBL4101189

SCHEMBL4101189

C[C@H]1C[C@H](C)CN(CCCOc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.73
CYP3A4 P08684 4/20 0.73
CYP2C9 P11712 4/20 0.73
KCNH2 Q12809 5/20 0.56
MAOB P27338 1/20 0.49
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
SCN1A P35498 1/20 0.48
HTR2B P41595 1/20 0.48
SCN2A Q99250 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SCN3A Q9NY46 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4101190 1.00 HRH3 (0.73) HRH3CYP3A4CYP2C9KCNH2MAOB
SCHEMBL12062414 0.90 HRH3 (0.77) HRH3CYP3A4CYP2C9KCNH2MAOB
SCHEMBL4084404 0.90 HRH3 (0.77) HRH3CYP3A4CYP2C9KCNH2MAOB
SCHEMBL4094653 0.90 HRH3 (0.77) HRH3CYP3A4CYP2C9KCNH2MAOB
SCHEMBL4090356 0.90 HRH3 (0.77) HRH3CYP3A4CYP2C9KCNH2MAOB
Hydrochloric Acid SCHEMBL9986434 0.89 HRH3 (0.76) HRH3CYP3A4CYP2C9KCNH2MAOB
Hydrochloric Acid SCHEMBL9986430 0.89 HRH3 (0.76) HRH3CYP3A4CYP2C9KCNH2MAOB
Hydrochloric Acid SCHEMBL9986637 0.89 HRH3 (0.76) HRH3CYP3A4CYP2C9KCNH2MAOB
SCHEMBL4089448 0.84 HRH3 (1.00) HRH3CYP3A4CYP2C9KCNH2
SCHEMBL4088144 0.84 HRH3 (1.00) HRH3CYP3A4CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US claimed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US 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
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-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 (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 1/4885CYP3A4 2341/4885CYP2C9 1879/4885
US-20090312367-A1 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR HRH3, HCRTR2, HCRTR1 HRH3 1/4885CYP3A4 729/4885CYP2C9 1708/4885

“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.