SCHEMBL85615

SCHEMBL85615

C[C@@H]1CCCN1CCCOc1ccc(I)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.67
MAOB P27338 1/20 0.65
HRH2 P25021 1/20 0.62
HRH1 P35367 1/20 0.62
KCNH2 Q12809 2/20 0.59
HTR3A P46098 2/20 0.58
CHRM2 P08172 1/20 0.58
SLC6A2 P23975 1/20 0.58
ADRA1A P35348 1/20 0.58
SLC6A3 Q01959 1/20 0.58

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
SCHEMBL1178972 1.00 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1179056 1.00 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1776447 0.96 HRH3 (0.71) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1179009 0.96 HRH3 (0.62) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1775252 0.96 HRH3 (0.62) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1776848 0.93 HRH3 (0.57) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1178719 0.93 HRH3 (0.57) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL4467743 0.86 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1372942 0.86 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL4562819 0.86 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2

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 47 patents — showing the first 20. 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
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-2221298-B1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-11-06 EP disclosed
EP-2221298-B1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-11-06 EP disclosed
EP-1945206-B1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2013-04-24 EP disclosed
US-8193176-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-06-05 US disclosed
US-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders BENNANI YOUSSEF L 2009-02-05 US disclosed
US-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders BENNANI YOUSSEF L 2009-02-05 US disclosed
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2009-01-22 US disclosed
EP-1610786-B9 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20070161676-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. 2007-07-12 US disclosed
US-20070161676-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. 2007-07-12 US disclosed
EP-1610786-B1 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LTD (GB) 2007-06-20 EP disclosed
US-20060205774-A1 4-(4-(Heterocyclylakoxy) phenyl-1-(heterocyclyl-carbonyl) piperidine derivavites and related compounds as histamine h3 antagonists for the treatment of neurological diseases such as alzheimer's GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
EP-1610786-A1 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004089373-A1 4- (4-(HETEROCYCLYLALKOXY}PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER’S GLAXO GROUP LIMITED (GB) 2004-10-21 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 (7 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-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HCRTR1, HCRTR2 HRH3 1/4885MAOB 211/4885HRH2 12/4885
US-20150045553-A1 PHENYLTRIAZOLE DERIVATIVE PER2, BACE1, MAPT HRH3 56/4885MAOB 87/4885HRH2 260/4885
US-20160095848-A1 PHENYLPYRROLE DERIVATIVE PER2, CRY1, APP HRH3 40/4885MAOB 101/4885HRH2 115/4885
US-20060205774-A1 4-(4-(Heterocyclylakoxy) phenyl-1-(heterocyclyl-carbonyl) piperidine derivavites and related compounds as histamine h3 antagonists for the treatment of neurological diseases such as alzheimer's HRH3, HRH4, HRH1 HRH3 1/4885MAOB 92/4885HRH2 4/4885
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses COASY, FURIN, PEPD HRH3 3883/4885MAOB 336/4885HRH2 2467/4885
US-20140330010-A1 PHENYLPYRROLE DERIVATIVE PER2, CRY1, APP HRH3 40/4885MAOB 101/4885HRH2 115/4885
US-20070161676-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HCRTR1, HCRTR2 HRH3 1/4885MAOB 211/4885HRH2 12/4885

“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.