SCHEMBL9917449

SCHEMBL9917449

Clc1ccc(Cn2nc(OCCCN3CCC[C@H]3CN3CCCC3)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.54
ADRA1A P35348 16/20 0.54
HRH1 P35367 15/20 0.54
ADRA1B P35368 15/20 0.54
KCNH2 Q12809 11/20 0.54
CYP2D6 P10635 3/20 0.54
CYP3A4 P08684 2/20 0.54
HRH2 P25021 2/20 0.54
HRH4 Q9H3N8 1/20 0.54
KDM4E B2RXH2 1/20 0.45
GUCY1B2 O75343 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
GUCY1A2 P33402 1/20 0.45

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
SCHEMBL9917447 0.95 HRH3 (0.52) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL9917464 0.91 HRH3 (0.49) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL9917446 0.89 HRH3 (0.49) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL9917454 0.89 HRH3 (0.49) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL9917513 0.89 HRH3 (0.51) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL16418028 0.87 HRH3 (0.50) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL9921303 0.86 HRH3 (0.49) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL9917451 0.85 HRH3 (0.56) HRH3ADRA1AHRH1KCNH2CYP2D6
SCHEMBL9917486 0.85 HRH3 (0.46) HRH3ADRA1AHRH1ADRA1BKCNH2
SCHEMBL9921297 0.85 HRH3 (0.49) HRH3ADRA1AHRH1ADRA1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
WO-2010107742-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 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 (1 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 HRH3 4193/4885ADRA1A 4433/4885HRH1 4601/4885

“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.