SCHEMBL3583393

SCHEMBL3583393

[c]1ccccc1OCCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
HRH1 P35367 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KCNH2 Q12809 1/20 0.54
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH2 P25021 1/20 0.50
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL8623642 0.98 ALDH1A1 (0.55) HRH3ALDH1A1KDM4EHRH1SMN1; SMN2
SCHEMBL2180083 0.92 TSHR (0.53) KDM4EHRH1SMN1; SMN2
SCHEMBL956747 0.90 LTA4H (0.51) CYP2D6CYP2C19
SCHEMBL6292255 0.86 HRH3 (0.54) HRH3ALDH1A1KDM4EHRH1CYP2D6
SCHEMBL2183432 0.85 KDM4E (0.56) HRH3ALDH1A1KDM4ESMN1; SMN2KCNH2
SCHEMBL5656583 0.82 ESR1 (0.37) HRH3ALDH1A1KDM4EHRH1SMN1; SMN2
SCHEMBL3960266 0.80 ALDH1A1 (0.37) HRH3ALDH1A1KDM4ESMN1; SMN2CYP2D6
SCHEMBL2182155 0.78 LTA4H (0.51) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3240661 0.77 ALDH1A1 (0.35) HRH3ALDH1A1KDM4EHRH1SMN1; SMN2
SCHEMBL826085 0.77 NPC1 (0.54) ALDH1A1KDM4EMEN1KMT2ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US claimed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US claimed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US 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-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 2614/4885KDM4E 564/4885
US-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 HRH3 89/4885ALDH1A1 370/4885KDM4E 2574/4885
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 1903/4885KDM4E 393/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 HRH3 583/4885ALDH1A1 1563/4885KDM4E 1444/4885

“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.