SCHEMBL3579494

SCHEMBL3579494

Clc1ccnc(NC2CC[N]CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.46
CTSK P43235 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
ACHE P22303 3/20 0.40
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
BACE1 P56817 2/20 0.39
MAPK1 P28482 1/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 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
SCHEMBL29770915 0.90 IKBKB (0.50) IKBKBCTSKKDM4EGAAHRH4
SCHEMBL3451468 0.86 CTSK (0.58) IKBKBCTSKKDM4EGAAHRH4
SCHEMBL1033751 0.85 CTSK (0.60) IKBKBCTSKKDM4EGAAHRH4
SCHEMBL18920813 0.85 CTSK (0.60) IKBKBCTSKKDM4EGAAHRH4
SCHEMBL21143601 0.80 IDH1 (0.58) IKBKBMAPK10
SCHEMBL31127411 0.80 IDH1 (0.58) IKBKBMAPK10
SCHEMBL19098459 0.78 MKNK1 (0.52) IKBKBCTSKHRH4ACHEMAPK8
SCHEMBL4486846 0.72 KMT2A (0.42) IKBKBKDM4EGAAMAPK8MAPK9
SCHEMBL3576035 0.70 NOS1 (0.52) KDM4EHRH4MAPK1
SCHEMBL91469 0.68 CTSK (0.49) IKBKBCTSKKDM4EGAAHRH4

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-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 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-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US disclosed
US-7186732-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-03-06 US disclosed
EP-1311482-B1 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP 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
US-7071191-B2 Non-imidazole aryloxypiperidines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-04 US disclosed
EP-1313721-B1 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-03-08 EP disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US disclosed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP disclosed
EP-1313721-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP disclosed
EP-1311482-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 EP disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-20020065278-A1 Non-imidazole aryloxyalkylamines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-05-30 US disclosed
US-20020040024-A1 Non-imidazole aryloxypiperidines NORTEL NETWORKS LIMITED (CA) 2002-04-04 US disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO disclosed
WO-2002012190-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO 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 (8 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 IKBKB 1860/4885CTSK 834/4885KDM4E 1675/4885
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 IKBKB 1507/4885CTSK 575/4885KDM4E 2482/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 IKBKB 1013/4885CTSK 803/4885KDM4E 2037/4885
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 IKBKB 1860/4885CTSK 834/4885KDM4E 1675/4885
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 IKBKB 1860/4885CTSK 834/4885KDM4E 1675/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 IKBKB 1013/4885CTSK 803/4885KDM4E 2037/4885
US-20020040024-A1 Non-imidazole aryloxypiperidines HRH2, HRH4, HRH3 IKBKB 1526/4885CTSK 617/4885KDM4E 1096/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 IKBKB 1016/4885CTSK 786/4885KDM4E 2041/4885

“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.