SCHEMBL26850283

SCHEMBL26850283

CCCCCCC(C)(CCCCC)c1nc(C)cn1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.32
SMPD1 P17405 4/20 0.31
TLR8 Q9NR97 2/20 0.31
SPNS2 Q8IVW8 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
KCNH2 Q12809 1/20 0.30
FAAH O00519 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
SCHEMBL26849593 1.00 CNR2 (0.33) CNR2CNR1SMPD1TLR8SPNS2
SCHEMBL21719574 0.75 SMPD1 (0.35) CNR2CNR1SMPD1TLR8
SCHEMBL21024978 0.75 CNR2 (0.33) CNR2CNR1SPNS2PTGS1PTGS2
SCHEMBL26850320 0.75 TBXAS1 (0.33) CNR2SMPD1PTGS1PTGS2MGLL
SCHEMBL26853629 0.75 TBXAS1 (0.33) CNR2SMPD1PTGS1PTGS2MGLL
SCHEMBL25101264 0.73 TLR8 (0.40) TLR8
SCHEMBL21719594 0.73
SCHEMBL22388573 0.73 TLR8 (0.40) TLR8
SCHEMBL20047667 0.73 TLR8 (0.40) TLR8
SCHEMBL26849577 0.72 CNR2 (0.35) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 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 (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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 CNR2 187/4885CNR1 238/4885SMPD1 1632/4885

“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.