SCHEMBL9917530

SCHEMBL9917530

Clc1ccc(Cn2nc(OCCCN3CCCC3c3ccccn3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
MCHR1 Q99705 3/20 0.41
CXCR4 P61073 3/20 0.41
HDAC1 Q13547 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 2/20 0.37
ADRA1A P35348 4/20 0.37
KCNH2 Q12809 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 2/20 0.37
GUCY1B2 O75343 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL9917481 0.83 HRH3 (0.55) HRH3KCNH2
SCHEMBL9917472 0.83 HRH3 (0.55) HRH3KCNH2
SCHEMBL9917477 0.81 SPHK1 (0.48) HRH3MCHR1ADRA1AKCNH2CYP2D6
SCHEMBL9917469 0.81 HRH3 (0.48) HRH3CNR2CNR1ACHEPOLB
SCHEMBL9917525 0.80 HRH3 (0.52) HRH3CXCR4ALDH1A1HRH1HRH2
SCHEMBL9917464 0.80 HRH3 (0.49) HRH3ADRA1AKCNH2CYP2D6HRH1
SCHEMBL9917473 0.79 SPHK2 (0.45) HRH3MCHR1CNR2ADRA1AKCNH2
SCHEMBL9921297 0.77 HRH3 (0.49) HRH3CNR2CNR1ACHEPOLB
SCHEMBL9917502 0.77 HRH3 (0.62) HRH3CNR2CNR1ACHEPOLB
SCHEMBL9917448 0.77 HRH3 (0.62) HRH3CNR2CNR1ACHEPOLB

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 4193/4885MCHR1 4865/4885CXCR4 1155/4885

“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.