SCHEMBL3580274

SCHEMBL3580274

c1cc(N2CCNCC2)ccc1OCCCN1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.78
KCNH2 Q12809 1/20 0.78
HRH1 P35367 6/20 0.59
HRH2 P25021 3/20 0.59
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HTR1A P08908 2/20 0.56
DRD2 P14416 2/20 0.56
HTR2A P28223 2/20 0.56
DRD3 P35462 2/20 0.56
TMEM97 Q5BJF2 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
ACHE P22303 1/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL3584179 0.99 HRH3 (0.81) HRH3KCNH2HRH1HRH2ALDH1A1
SCHEMBL13437926 0.99 HRH3 (0.81) HRH3KCNH2HRH1HRH2ALDH1A1
Hydrochloric Acid SCHEMBL3569842 0.99 HRH3 (0.76) HRH3KCNH2HRH1HRH2ALDH1A1
SCHEMBL3573919 0.99 HRH3 (0.81) HRH3KCNH2HRH1HRH2ALDH1A1
Hydrochloric Acid SCHEMBL3581472 0.97 HRH3 (0.78) HRH3KCNH2HRH1HRH2ALDH1A1
SCHEMBL3576424 0.95 HRH3 (0.79) HRH3KCNH2HRH1HRH2ALDH1A1
SCHEMBL23855510 0.93 HRH3 (0.66) HRH3KCNH2SIGMAR1
SCHEMBL21659286 0.89 HRH3 (0.66) HRH3KCNH2HRH1HRH2ALDH1A1
SCHEMBL23855522 0.89 HRH3 (0.65) HRH3KCNH2HRH1HRH2ALDH1A1
Hydrochloric Acid SCHEMBL23855511 0.87 HRH3 (0.64) HRH3KCNH2HRH1HRH2ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1313721-B1 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-03-08 EP claimed
EP-1313721-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP claimed
US-20020065278-A1 Non-imidazole aryloxyalkylamines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-05-30 US claimed
WO-2002012214-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2002-02-14 WO claimed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO 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-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-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 (5 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B HRH3 673/4885KCNH2 1642/4885HRH1 876/4885
US-20020065278-A1 Non-imidazole aryloxyalkylamines HNMT, HRH2, HRH3 HRH3 3/4885KCNH2 470/4885HRH1 5/4885
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 1178/4885HRH1 5/4885
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HRH3 3/4885KCNH2 470/4885HRH1 5/4885
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HRH3 3/4885KCNH2 470/4885HRH1 5/4885

“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.