SCHEMBL2887035

SCHEMBL2887035

COc1ccc2c(c1)cc(-c1ccccc1)n2Cc1ccc(C(=O)N2CCC(N(C)C)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
CHRM1 P11229 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2885713 0.89 HRH3 (0.70) HRH3
SCHEMBL1813613 0.85 HRH3 (0.48) HRH3
SCHEMBL2878928 0.82 HRH3 (0.56) HRH3
SCHEMBL2886071 0.77 HRH3 (0.71) HRH3
SCHEMBL2881658 0.76 HRH3 (1.00) HRH3CHRM1HRH1KCNH2
SCHEMBL2885885 0.76 HRH3 (1.00) HRH3CHRM1HRH1KCNH2
SCHEMBL2878779 0.76 HRH3 (1.00) HRH3CHRM1HRH1KCNH2
SCHEMBL6821149 0.75 GRIK1 (0.75) GRIK1GRIK2
SCHEMBL1811112 0.74 L3MBTL3 (0.47) HRH3
SCHEMBL1814566 0.73 HRH3 (0.55) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US claimed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US claimed
US-8796247-B2 Indole derivative, and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-8796247-B2 Indole derivative, and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20140018335-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-01-16 US disclosed
US-20140018335-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-01-16 US disclosed
WO-2012102254-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2012-08-02 WO disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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 (2 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-20140018335-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R HRH3 250/4885GRIK1 256/4885GRIK2 846/4885
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 HRH3 3/4885GRIK1 134/4885GRIK2 117/4885

“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.