SCHEMBL3583116

SCHEMBL3583116

CC(C)(C)OC(=O)N1CCN(c2ccc(OCCCN3CCCC3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.61
KCNH2 Q12809 1/20 0.61
TLR9 Q9NR96 1/20 0.56
TLR7 Q9NYK1 1/20 0.56
EPHX2 P34913 2/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.52
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3579866 0.99 HRH3 (0.63) HRH3KCNH2TLR9TLR7EPHX2
SCHEMBL3580230 0.96 HRH3 (0.59) HRH3KCNH2TLR9TLR7EPHX2
SCHEMBL3584340 0.93 HRH3 (0.60) HRH3KCNH2ALDH1A1HRH1
SCHEMBL21659288 0.92 HRH3 (0.58) HRH3KCNH2TLR9TLR7EPHX2
SCHEMBL3579113 0.87 KDM4E (0.55) HRH3TLR9TLR7EPHX2ALDH1A1
SCHEMBL22776398 0.87 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21659284 0.86 MAPT (0.53) HRH3EPHX2MAPTALDH1A1LMNA
SCHEMBL3575001 0.86 MAPT (0.57) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5935409 0.85 HRH3 (0.67) HRH3KCNH2ALDH1A1HRH2HRH1
SCHEMBL20305774 0.85 MAPT (0.56) MAPTALDH1A1LMNASMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES APODACA RICHARD 2008-12-11 US disclosed
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES APODACA RICHARD 2008-12-11 US disclosed
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES APODACA RICHARD 2008-12-11 US disclosed
US-7429586-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICLAS, INC. (US) 2008-09-30 US disclosed
US-7429586-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICLAS, INC. (US) 2008-09-30 US disclosed
US-7429586-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICLAS, INC. (US) 2008-09-30 US disclosed
US-7186732-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-03-06 US disclosed
US-7186732-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-03-06 US disclosed
US-7186732-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-03-06 US disclosed
US-20060235049-A1 1-{3-[4-(1-Methyl-pyrrolidin-2-yl)-phenoxy]-propyl}-piperidine, and 1-Benzyl-4-[4-(3-piperidin-1-yl-propoxy)-phenyl]-piperidin-4-ol; histamin receptor antagonist; antidepressant; upper airway allergies, nasal congestion, allergic rhinitis, cognitive dysfunction, schizophrenia, manic disorders APODACA RICHARD 2006-10-19 US disclosed
EP-1313721-B1 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-03-08 EP disclosed
EP-1313721-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP disclosed
US-20020065278-A1 Non-imidazole aryloxyalkylamines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-05-30 US disclosed
WO-2002012214-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2002-02-14 WO 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 (4 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-20020065278-A1 Non-imidazole aryloxyalkylamines HNMT, HRH2, HRH3 HRH3 3/4885KCNH2 470/4885TLR9 371/4885
US-20060235049-A1 1-{3-[4-(1-Methyl-pyrrolidin-2-yl)-phenoxy]-propyl}-piperidine, and 1-Benzyl-4-[4-(3-piperidin-1-yl-propoxy)-phenyl]-piperidin-4-ol; histamin receptor antagonist; antidepressant; upper airway allergies, nasal congestion, allergic rhinitis, cognitive dysfunction, schizophrenia, manic disorders HRH4, HRH3, HRH2 HRH3 2/4885KCNH2 1178/4885TLR9 339/4885
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HRH3 3/4885KCNH2 470/4885TLR9 371/4885
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HRH3 3/4885KCNH2 470/4885TLR9 371/4885

“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.