SCHEMBL9921273

SCHEMBL9921273

COCCN1CC[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
GBA1 P04062 2/20 0.46
HRH3 Q9Y5N1 7/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HTR1A P08908 1/20 0.39
PDK2 Q15119 2/20 0.38
HSD11B1 P28845 1/20 0.37
CNR2 P34972 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 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
SCHEMBL5949496 1.00 LTA4H (0.47) LTA4HGBA1HRH3HRH2HRH1
SCHEMBL16418018 1.00 LTA4H (0.47) LTA4HGBA1HRH3HRH2HRH1
SCHEMBL12717290 0.89 HRH3 (0.49) LTA4HHRH3HRH2HRH1HTR1A
SCHEMBL9921265 0.89 HRH3 (0.49) LTA4HHRH3HRH2HRH1HTR1A
SCHEMBL13552419 0.89 HRH3 (0.49) LTA4HHRH3HRH2HRH1HTR1A
SCHEMBL259415 0.88 GBA1 (0.44) GBA1HRH3HRH2HRH1HSD11B1
SCHEMBL28960037 0.80 PDCD1 (0.44) LTA4HHRH3HRH2HRH1HTR1A
SCHEMBL12872466 0.79 LTA4H (0.43) LTA4HHRH3HRH2HRH1HTR1A
SCHEMBL9911416 0.79 LTA4H (0.43) LTA4HHRH3HRH2HRH1HTR1A
SCHEMBL13472101 0.79 LTA4H (0.43) LTA4HHRH3HRH2HRH1HTR1A

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-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-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-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 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-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine CNR1, ACKR3, HCAR3 LTA4H 937/4885GBA1 423/4885HRH3 78/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885GBA1 1547/4885HRH3 4193/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885GBA1 1547/4885HRH3 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.