SCHEMBL26850331

SCHEMBL26850331

CCCCCCCC(C)(CCCCCC)c1ncnn1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 2/20 0.33
FAAH O00519 1/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDR P35968 5/20 0.31
GGPS1 O95749 3/20 0.31
ADORA2B P29275 1/20 0.31
TLR8 Q9NR97 1/20 0.30
FDPS P14324 4/20 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
SCHEMBL22022940 1.00 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHKMT2A
SCHEMBL22958884 0.98 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHKMT2A
SCHEMBL22952732 0.74 CNR1 (0.31)
SCHEMBL25101264 0.73 TLR8 (0.40) KMT2AHTTSMN1; SMN2TLR8
SCHEMBL20047667 0.73 TLR8 (0.40) KMT2AHTTSMN1; SMN2TLR8
SCHEMBL22388573 0.73 TLR8 (0.40) KMT2AHTTSMN1; SMN2TLR8
SCHEMBL26849577 0.72 CNR2 (0.35) KMT2A
SCHEMBL22955757 0.71 ALDH1A1 (0.32)
SCHEMBL26850320 0.71 TBXAS1 (0.33) PTGS1PTGS2MGLLFAAHKMT2A
SCHEMBL26853629 0.71 TBXAS1 (0.33) PTGS1PTGS2MGLLFAAHKMT2A

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 PTGS1 340/4885PTGS2 308/4885MGLL 569/4885

“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.