SCHEMBL22388573

SCHEMBL22388573

CCCCCCC(C)(CCCCCC)c1nccn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TBXAS1 P24557 1/20 0.35
TLR7 Q9NYK1 2/20 0.33
LPO P22079 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 5/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 5/20 0.31
RAB9A P51151 5/20 0.31
GALR3 O60755 2/20 0.31
ATM Q13315 2/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL25101264 1.00 TLR8 (0.40) TLR8KMT2APOLBALDH1A1TBXAS1
SCHEMBL20047667 1.00 TLR8 (0.40) TLR8KMT2APOLBALDH1A1TBXAS1
SCHEMBL19388425 0.94 TLR8 (0.38) TLR8KMT2APOLBALDH1A1TBXAS1
SCHEMBL13946295 0.78 KMT2A (0.44) TLR8KMT2APOLBALDH1A1LPO
SCHEMBL26850320 0.75 TBXAS1 (0.33) KMT2ATBXAS1
SCHEMBL26853629 0.75 TBXAS1 (0.33) KMT2ATBXAS1
SCHEMBL5185067 0.74 TLR8 (0.33) TLR8KMT2APOLBALDH1A1HTT
SCHEMBL22022940 0.73 PTGS1 (0.33) TLR8KMT2AHTTSMN1; SMN2
SCHEMBL26849593 0.73 CNR2 (0.33) TLR8
SCHEMBL26850331 0.73 PTGS1 (0.33) TLR8KMT2AHTTSMN1; SMN2

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 3 patents. 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
US-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 US disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 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 (3 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-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 TLR8 1588/4885KMT2A 581/4885POLB 3016/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 TLR8 4513/4885KMT2A 3649/4885POLB 4596/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 TLR8 1588/4885KMT2A 581/4885POLB 3016/4885

“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.