SCHEMBL19852767

SCHEMBL19852767

CCCCCCC(C)(CCCCC)Nc1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.45
TLR7 Q9NYK1 3/20 0.43
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
ALOX12 P18054 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
DNM2 P50570 2/20 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
SCHEMBL24748307 1.00 TLR8 (0.45) TLR8TLR7DRD2DRD3NPC1
SCHEMBL23697921 0.98 TLR8 (0.44) TLR8TLR7DRD2DRD3NPC1
SCHEMBL22436132 0.93 TLR8 (0.43) TLR8TLR7DRD2DRD3NPC1
SCHEMBL21017157 0.91 TLR8 (0.42) TLR8TLR7DRD2DRD3NPC1
SCHEMBL1231964 0.81 TLR8 (0.40) TLR8TLR7NPC1TSHRKDM4E
SCHEMBL21017126 0.80 ALOX12 (0.48) TLR8TLR7NPC1KDM4ELMNA
SCHEMBL19852711 0.80 ALOX12 (0.48) TLR8TLR7NPC1KDM4ELMNA
SCHEMBL23768097 0.80 ALOX12 (0.48) TLR8TLR7NPC1KDM4ELMNA
SCHEMBL23697490 0.79 ALOX12 (0.47) TLR8TLR7NPC1KDM4ELMNA
SCHEMBL21162636 0.78 TLR8 (0.37) TLR8TLR7DRD2DRD3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639298-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (US) 2020-05-05 US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 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-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 TLR8 4250/4885TLR7 3964/4885DRD2 2430/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 TLR8 4081/4885TLR7 3946/4885DRD2 2408/4885

“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.