SCHEMBL4136000

SCHEMBL4136000

CCOCc1nc2cnc3ccccc3c2n1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.49
TLR8 Q9NR97 5/20 0.49
SCN9A Q15858 1/20 0.40
GBA1 P04062 1/20 0.39
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NUDT1 P36639 1/20 0.38

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
SCHEMBL5121189 0.86 TLR7 (0.53) TLR7TLR8SCN9AGBA1NUDT1
SCHEMBL5350844 0.85 TLR7 (0.52) TLR7TLR8BCHENUDT1
SCHEMBL5349692 0.85 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL22359571 0.84 TLR7 (0.54) TLR7TLR8NUDT1
SCHEMBL4756423 0.82 TLR7 (0.43) TLR7TLR8MEN1NPC1GAA
SCHEMBL5110579 0.79 TLR7 (0.44) TLR7TLR8SCN9AGBA1BCHE
SCHEMBL18166857 0.79 TLR7 (0.40) TLR7TLR8MEN1KMT2ANUDT1
SCHEMBL1082723 0.78 TLR7 (0.48) TLR7TLR8MEN1NPC1GAA
SCHEMBL4142764 0.77 TLR7 (0.60) TLR7TLR8GBA1NUDT1
SCHEMBL18166858 0.77 TLR7 (0.41) TLR7TLR8MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472420-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-12 US disclosed
US-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-05-21 US disclosed
US-8951528-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-10 US disclosed
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2009-02-05 US disclosed
EP-1988896-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M Innovative Properties Company (US) 2008-11-12 EP disclosed
WO-2007100634-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-07 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 (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-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885SCN9A 4806/4885
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885SCN9A 4806/4885
US-10472420-B2 Immune response modifier conjugates IFNG, CD74, MYD88 TLR7 92/4885TLR8 71/4885SCN9A 4806/4885

“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.