SCHEMBL9921255

SCHEMBL9921255

O=C(O)C1CCCCN1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.42
CNR2 P34972 2/20 0.41
HRH3 Q9Y5N1 3/20 0.40
CD274 Q9NZQ7 3/20 0.39
MCL1 Q07820 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
FKBP1A P62942 2/20 0.38
LTA4H P09960 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GUCY1B2 O75343 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL13186711 0.91 HRH3 (0.48) SLC6A9CNR2HRH3CD274FKBP1A
SCHEMBL16418022 0.91 LTA4H (0.42) CNR2HRH3CD274TSHRMAPK1
SCHEMBL13186710 0.88 HRH3 (0.49) SLC6A9CNR2HRH3KDM4EGUCY1B2
SCHEMBL13186709 0.88 HRH3 (0.49) SLC6A9CNR2HRH3KDM4EGUCY1B2
SCHEMBL9917473 0.85 SPHK2 (0.45) CNR2HRH3LTA4HCYP2D6CHRM1
SCHEMBL9917525 0.85 HRH3 (0.52) HRH3
SCHEMBL9917477 0.83 SPHK1 (0.48) HRH3CYP2D6CHRM1ADRA1AKCNH2
SCHEMBL9917472 0.82 HRH3 (0.55) HRH3KCNH2
SCHEMBL9917481 0.82 HRH3 (0.55) HRH3KCNH2
SCHEMBL9917509 0.82 LTA4H (0.47) CNR2HRH3CD274FKBP1ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A9 4043/4885CNR2 3370/4885HRH3 4193/4885

“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.