SCHEMBL3661210

SCHEMBL3661210

CC(C)(C(=O)O)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
ARG1 P05089 2/20 0.33
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
DPP4 P27487 2/20 0.31
FAP Q12884 1/20 0.31

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
SCHEMBL19819318 0.94 KDM4E (0.36) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL19819319 0.94 KDM4E (0.36) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL16849101 0.89 SLC1A2 (0.37) CYP2D6CYP2C19MEN1BLMKMT2A
SCHEMBL15995652 0.82 NOS2 (0.36) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL717000 0.82 NOS2 (0.36) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL717921 0.82 NOS2 (0.36) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL27985695 0.80 KDM4E (0.39) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL6599580 0.79 KDM4E (0.34) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL12928728 0.78 SLC6A2 (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL12928740 0.78 SLC6A2 (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD

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
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS KDM4E 3175/4885NPC1 213/4885CYP1A2 2485/4885

“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.