SCHEMBL20670355

SCHEMBL20670355

CNC(=O)CC1(C)CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KDM1A O60341 1/20 0.36
KMT2A Q03164 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
NAMPT P43490 2/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 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
SCHEMBL23894246 0.83 SCN1A (0.32) SCN1ASCN2ASCN3ANAMPTKDM4E
SCHEMBL19022026 0.81 KMT2A (0.38) KMT2ASCN1ASCN2ASCN3ANAMPT
SCHEMBL29889358 0.81 ALDH1A1 (0.39) ALDH1A1KMT2APOLBKDM4ETP53
SCHEMBL20670324 0.80 CHRM5 (0.40) ALDH1A1KMT2ANAMPTKDM4E
SCHEMBL20670356 0.79 ALDH1A1 (0.38) ALDH1A1KDM1AKMT2APOLBKDM4E
SCHEMBL20670328 0.79 KDM4E (0.43) ALDH1A1KMT2ANAMPTPOLBKDM4E
SCHEMBL18936836 0.78 ALDH1A1 (0.37) ALDH1A1KMT2ASLC22A1SLC6A4ADRA1A
SCHEMBL8684584 0.78 ALDH1A1 (0.42) ALDH1A1KDM1AKMT2A
SCHEMBL15232200 0.78 KMT2A (0.42) ALDH1A1KDM1AKMT2ASCN1ASCN2A
SCHEMBL29722496 0.76 SCN1A (0.34) KMT2ASCN1ASCN2ASCN3ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
EP-4248968-A2 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-09-27 EP disclosed
EP-3655401-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
US-10836750-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-11-17 US disclosed
US-10793553-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-01-24 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 (4 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885KDM1A 856/4885KMT2A 1063/4885
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2465/4885KDM1A 1004/4885KMT2A 1153/4885
US-10793553-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2465/4885KDM1A 1004/4885KMT2A 1153/4885
US-10836750-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2746/4885KDM1A 1042/4885KMT2A 1096/4885

“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.