Sugi Predict

Sugi Predict / Compounds / SCHEMBL3569762

SCHEMBL3569762

SCHEMBL3569762

c1ccc2c(c1)CCCN2Cc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.61
▸ LTA4H P09960 9/20 0.57
▸ PSMB1 P20618 1/20 0.56
▸ PSMB5 P28074 1/20 0.56
▸ PSMB2 P49721 1/20 0.56
▸ ACHE P22303 1/20 0.53
▸ RAD52 P43351 1/20 0.53
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL3579441 0.94 HRH3 (0.65) HRH3ACHERAD52
SCHEMBL12679023 0.80 HDAC1 (0.69) HDAC3HDAC1HDAC2HDAC6
SCHEMBL11787186 0.79 LTA4H (0.59) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL11787640 0.79 ALDH1A1 (0.58) HRH3LTA4H
SCHEMBL11795792 0.79 CHRM2 (0.55) HRH3LTA4H
SCHEMBL29483476 0.78 ALDH1A1 (0.60) HDAC3HDAC1HDAC2HDAC6
SCHEMBL28743846 0.78 ALDH1A1 (0.60) HDAC3HDAC1HDAC2HDAC6
SCHEMBL3573451 0.78 HRH3 (0.88) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL11677917 0.78 ALDH1A1 (0.59) LTA4H
SCHEMBL3580727 0.77 HRH3 (1.00) HRH3LTA4HPSMB1PSMB5PSMB2

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 22 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-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-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 3/4885LTA4H 101/4885PSMB1 3313/4885
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 2/4885LTA4H 377/4885PSMB1 639/4885
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HRH3 3/4885LTA4H 101/4885PSMB1 3313/4885
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HRH3 3/4885LTA4H 101/4885PSMB1 3313/4885

“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.