SCHEMBL9917403

SCHEMBL9917403

Clc1ccc(COc2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.81
CNR1 P21554 10/20 0.81
ACHE P22303 5/20 0.81
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
SLC6A4 P31645 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GUCY1B2 O75343 1/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
GUCY1A2 P33402 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
GUCY1A1 Q02108 1/20 0.54

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
SCHEMBL9917500 0.85 CNR2 (1.00) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL13186698 0.85 CYP1A2 (0.60) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL27923057 0.84 CNR2 (0.64) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL8810482 0.81 HRH3 (0.84) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL9917490 0.80 BCHE (0.56) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL9917489 0.79 HRH3 (0.54) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL8811323 0.79 DRD3 (0.66) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL9917451 0.79 HRH3 (0.56) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL9917445 0.78 HRH3 (0.53) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL9917452 0.78 HRH3 (0.58) CNR2CNR1ACHECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 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-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
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 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 (3 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 CNR2 3370/4885CNR1 3683/4885ACHE 3660/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CNR2 3370/4885CNR1 3683/4885ACHE 3660/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 CNR2 3370/4885CNR1 3683/4885ACHE 3660/4885

“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.