SCHEMBL3580472

SCHEMBL3580472

CC(Oc1ccc(C=O)cc1)C1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.49
SLC6A3 Q01959 9/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 6/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD1 P21728 1/20 0.39
DHFR P00374 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8142613 0.96 ALDH1A3 (0.50) ALDH1A3SLC6A3SLC6A2SLC6A4MEN1
SCHEMBL5728995 0.84 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL3114462 0.81 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4965387 0.81 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6625146 0.80 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL1299966 0.79 ALDH1A3 (0.62) ALDH1A3MEN1KMT2ADRD1ALDH1A1
Hydrochloric Acid SCHEMBL6766361 0.78 KMT2A (0.49) SLC6A3SLC6A2SLC6A4KMT2ADHFR
SCHEMBL5729711 0.78 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5317949 0.78 PARP10 (0.51) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6800333 0.78 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4MEN1KMT2A

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 9 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-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-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 ALDH1A3 1596/4885SLC6A3 675/4885SLC6A2 157/4885
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 ALDH1A3 2222/4885SLC6A3 912/4885SLC6A2 920/4885
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 ALDH1A3 1596/4885SLC6A3 675/4885SLC6A2 157/4885
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 ALDH1A3 1596/4885SLC6A3 675/4885SLC6A2 157/4885

“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.