SCHEMBL9917477

SCHEMBL9917477

OC[C@@H]1CCCN1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.48
SPHK2 Q9NRA0 6/20 0.48
KCNH2 Q12809 4/20 0.45
HRH3 Q9Y5N1 9/20 0.44
CHRM1 P11229 2/20 0.41
MCHR1 Q99705 2/20 0.41
HTR2A P28223 1/20 0.41
LMNA P02545 1/20 0.41
ADRA1A P35348 5/20 0.40
HRH1 P35367 5/20 0.40
ADRA1B P35368 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH2 P25021 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL9917473 0.97 SPHK2 (0.45) SPHK1SPHK2KCNH2HRH3CHRM1
SCHEMBL9917446 0.91 HRH3 (0.49) SPHK1SPHK2KCNH2HRH3CHRM1
SCHEMBL9917454 0.91 HRH3 (0.49) SPHK1SPHK2KCNH2HRH3CHRM1
SCHEMBL9917464 0.89 HRH3 (0.49) KCNH2HRH3ADRA1AHRH1ADRA1B
SCHEMBL9917481 0.87 HRH3 (0.55) KCNH2HRH3
SCHEMBL9917472 0.87 HRH3 (0.55) KCNH2HRH3
SCHEMBL9917525 0.84 HRH3 (0.52) HRH3HRH1HRH2
SCHEMBL9921255 0.83 SLC6A9 (0.42) KCNH2HRH3CHRM1ADRA1ACYP2D6
SCHEMBL9917530 0.81 HRH3 (0.43) KCNH2HRH3CHRM1MCHR1ADRA1A
SCHEMBL9917513 0.81 HRH3 (0.51) KCNH2HRH3CHRM1ADRA1AHRH1

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 SPHK1 2897/4885SPHK2 2246/4885KCNH2 4580/4885

“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.