SCHEMBL26850320

SCHEMBL26850320

CCCCCCCC(C)(CCCCCC)c1nncn1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.33
SMPD1 P17405 4/20 0.31
SLC9A1 P19634 2/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
CNR2 P34972 1/20 0.30
KMT2A Q03164 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
SCHEMBL26853629 1.00 TBXAS1 (0.33) TBXAS1SMPD1SLC9A1PTGS1PTGS2
SCHEMBL22951453 0.80
SCHEMBL22211249 0.77 LRRK2 (0.30)
SCHEMBL26849593 0.75 CNR2 (0.33) SMPD1PTGS1PTGS2MGLLFAAH
SCHEMBL26850283 0.75 CNR2 (0.33) SMPD1PTGS1PTGS2MGLLFAAH
SCHEMBL25101264 0.75 TLR8 (0.40) TBXAS1KMT2A
SCHEMBL22388573 0.75 TLR8 (0.40) TBXAS1KMT2A
SCHEMBL20047667 0.75 TLR8 (0.40) TBXAS1KMT2A
SCHEMBL21719521 0.73 CNR2 (0.32) TBXAS1CNR2KMT2A
SCHEMBL22955757 0.72 ALDH1A1 (0.32) SMPD1SLC9A1

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 TBXAS1 646/4885SMPD1 1632/4885SLC9A1 295/4885

“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.