SCHEMBL21166112

SCHEMBL21166112

CCCCCCC(C)(CCCC)c1ncc(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.34
CNR2 P34972 2/20 0.30
CNR1 P21554 1/20 0.30
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL19363801 0.98 TLR8 (0.32) TLR8CNR2CNR1CES2LPAR1
SCHEMBL19363951 0.98 TLR8 (0.32) TLR8CNR2CNR1CES2LPAR1
SCHEMBL19363812 0.98 TLR8 (0.32) TLR8CNR2CNR1CES2LPAR1
SCHEMBL21783862 0.95 TLR8 (0.31) TLR8
SCHEMBL22541458 0.95 TLR8 (0.36) TLR8
SCHEMBL20031361 0.92 TLR8 (0.31) TLR8
SCHEMBL22460324 0.91 TLR8 (0.34) TLR8
SCHEMBL18474327 0.88 TLR8 (0.34) TLR8
SCHEMBL18523068 0.84 CNR2 (0.37) TLR8CNR2CNR1
SCHEMBL23583995 0.83 NPC1 (0.38) TLR8CNR2CNR1

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 TLR8 4387/4885CNR2 949/4885CNR1 770/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 TLR8 4387/4885CNR2 949/4885CNR1 770/4885

“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.