SCHEMBL19010255

SCHEMBL19010255

CNC(=O)CC1CCCN(C)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
GFER P55789 1/20 0.38
EPHX1 P07099 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
BCHE P06276 1/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL19010250 0.89 MAP4K4 (0.38) KEAP1NFE2L2EPHX1BCHE
SCHEMBL18502529 0.84 POLB (0.46) SMN1; SMN2KEAP1NFE2L2GFEREPHX1
SCHEMBL20673395 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KEAP1NFE2L2GFEREPHX1
SCHEMBL19000034 0.83 SMN1; SMN2 (0.42) SMN1; SMN2KEAP1NFE2L2GFEREPHX1
SCHEMBL19022011 0.83 KEAP1 (0.42) SMN1; SMN2KEAP1NFE2L2GFEREPHX1
SCHEMBL19009037 0.83 ALDH1A1 (0.34) KEAP1NFE2L2EPHX1HPGDKMT2A
SCHEMBL15142807 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL2607208 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL15142809 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GFERCHRNB2CHRNB4CHRNA3
SCHEMBL26343670 0.80 KEAP1 (0.46) SMN1; SMN2KEAP1NFE2L2EPHX1SIGMAR1

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 9 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
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-10793553-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 US disclosed
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-01-24 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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 (6 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 SMN1; SMN2 1984/4885KEAP1 1823/4885NFE2L2 1626/4885
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 2610/4885KEAP1 1861/4885NFE2L2 1792/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 1984/4885KEAP1 1823/4885NFE2L2 1626/4885
US-10793553-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 SMN1; SMN2 2610/4885KEAP1 1861/4885NFE2L2 1792/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 2610/4885KEAP1 1861/4885NFE2L2 1792/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 SMN1; SMN2 1984/4885KEAP1 1823/4885NFE2L2 1626/4885

“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.