SCHEMBL3359685

SCHEMBL3359685

Cn1c(/C=N/C23CC4CC(C2)C(C4)C3)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
KMT2A Q03164 2/20 0.36
KDM1A O60341 1/20 0.34
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DAO P14920 1/20 0.32
MCL1 Q07820 1/20 0.32
CNR2 P34972 5/20 0.32
ABCC2 Q92887 1/20 0.31
ALB P02768 1/20 0.31
SLC9A1 P19634 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
SCHEMBL3363998 0.94 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3364005 0.94 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13641366 0.80 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19258397 0.74 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL814728 0.70 KDM4E (0.55) KMT2AMEN1NPC1RAB9A
SCHEMBL28872468 0.69 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13945414 0.69 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9668707 0.69 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4257191 0.68 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4257195 0.68 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 EP claimed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US claimed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US claimed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US claimed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP claimed
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 EP disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP 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-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 GRIN2D 2175/4885GRIN3B 1248/4885GRIN1 831/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 GRIN2D 2543/4885GRIN3B 1206/4885GRIN1 821/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 GRIN2D 2543/4885GRIN3B 1206/4885GRIN1 821/4885

“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.