SCHEMBL2822372

SCHEMBL2822372

Ic1ccc(OC2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.61
KCNH2 Q12809 5/20 0.53

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
SCHEMBL3305301 0.93 HRH3 (0.56) HRH3KCNH2
SCHEMBL737639 0.85 HRH3 (0.63) HRH3KCNH2
SCHEMBL14862124 0.84 HRH3 (0.48) HRH3KCNH2
SCHEMBL16712653 0.83 HRH3 (0.61) HRH3KCNH2
SCHEMBL256373 0.82 PARP10 (0.53) HRH3
SCHEMBL4464014 0.81 HRH3 (0.68) HRH3KCNH2
SCHEMBL2005027 0.81 HRH3 (0.58) HRH3KCNH2
SCHEMBL17533980 0.81 HRH3 (0.58) HRH3KCNH2
SCHEMBL2930586 0.80 HRH3 (0.53) HRH3KCNH2
SCHEMBL2930585 0.80 HRH3 (0.53) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160095848-A1 PHENYLPYRROLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-04-07 US disclosed
US-9284324-B2 Phenylpyrrole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-03-15 US disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
US-20150045553-A1 PHENYLTRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 US disclosed
US-20140330010-A1 PHENYLPYRROLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-11-06 US disclosed
EP-2799436-A1 PHENYLTRIAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-11-05 EP disclosed
EP-2789608-A1 PHENYLPYRROLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-10-15 EP disclosed
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100113776-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2010-05-06 US disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 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 (6 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-20150045553-A1 PHENYLTRIAZOLE DERIVATIVE PER2, BACE1, MAPT HRH3 56/4885KCNH2 1119/4885
US-20160095848-A1 PHENYLPYRROLE DERIVATIVE PER2, CRY1, APP HRH3 40/4885KCNH2 1148/4885
US-20140330010-A1 PHENYLPYRROLE DERIVATIVE PER2, CRY1, APP HRH3 40/4885KCNH2 1148/4885
US-20100113776-A1 PYRAZOLE DERIVATIVE HRH3, HRH4, HRH1 HRH3 1/4885KCNH2 1314/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 HRH3 16/4885KCNH2 1588/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 HRH3 2/4885KCNH2 112/4885

“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.