SCHEMBL75184

SCHEMBL75184

c1cc2c(cc1OCCCN1CCOCC1)cc1n2CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.54
MAPK1 P28482 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
HTR2A P28223 1/20 0.51
SCN1A P35498 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL5235419 0.72 HTR2C (0.48) HRH3ALDH1A1CYP1A2HTR2AKDM4E
SCHEMBL16197697 0.71 HTR2A (0.51) MAPK1ALDH1A1CYP1A2HTR2AKDM4E
SCHEMBL15704190 0.71 HRH3 (0.62) HRH3MAPK1SIGMAR1ALDH1A1CYP1A2
SCHEMBL4090612 0.71 HRH3 (0.82) HRH3MAPK1SIGMAR1ALDH1A1CYP1A2
SCHEMBL3570492 0.70 HRH3 (1.00) HRH3
SCHEMBL3569242 0.70 HRH3 (1.00) HRH3
SCHEMBL2477070 0.70 HRH3 (0.60) HRH3MAPK1SIGMAR1ALDH1A1CYP1A2
SCHEMBL10207398 0.70 ALDH1A1 (0.68) HRH3MAPK1SIGMAR1ALDH1A1CYP1A2
SCHEMBL21740015 0.69 ALDH1A1 (0.62) HRH3MAPK1SIGMAR1ALDH1A1CYP1A2
SCHEMBL15701622 0.69 MEN1 (0.61) HRH3MAPK1SIGMAR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 US claimed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 US claimed
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-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 US disclosed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 US disclosed
US-7855224-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2010-12-21 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

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-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 1/4885MAPK1 2559/4885SIGMAR1 182/4885
US-20110059966-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 1/4885MAPK1 2559/4885SIGMAR1 182/4885

“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.