SCHEMBL9917384

SCHEMBL9917384

CC(C)OCCN1CCC(C(=O)CO)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
LTA4H P09960 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.36
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SLC6A1 P30531 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9917386 0.85 SLC6A1 (0.44) CYP3A4SLC6A1
SCHEMBL9921268 0.82 LTA4H (0.52) WNT1GSK3BDYRK1ALTA4HALDH1A1
SCHEMBL9911414 0.78 LTA4H (0.47) WNT1GSK3BDYRK1ALTA4HALDH1A1
SCHEMBL29339640 0.78 WNT1 (0.43) WNT1GSK3BDYRK1ALTA4HALDH1A1
SCHEMBL26700766 0.77 WNT1 (0.42) WNT1GSK3BDYRK1ALTA4HALDH1A1
SCHEMBL9917387 0.77 S1PR5 (0.43) SLC6A1
SCHEMBL9911420 0.76 TP53 (0.45) WNT1GSK3BDYRK1ALTA4HALDH1A1
SCHEMBL9911416 0.74 LTA4H (0.43) LTA4HKDM1A
SCHEMBL12872466 0.74 LTA4H (0.43) LTA4HKDM1A
SCHEMBL9911415 0.74 LTA4H (0.43) LTA4HKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 WNT1 3065/4885GSK3B 975/4885DYRK1A 4848/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 WNT1 3065/4885GSK3B 975/4885DYRK1A 4848/4885

“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.