SCHEMBL19009045

SCHEMBL19009045

CC(C)NC(=O)CC1CNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNA7 P36544 2/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX1 P07099 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.34
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34

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
SCHEMBL10199651 0.81 KMT2A (0.45) CHRM5CHRM3KMT2AMEN1FAAH
Hydrochloric Acid SCHEMBL38665133 0.79 CHRM5 (0.49) CHRM5CHRM3KMT2AEPHX1TSHR
SCHEMBL7882899 0.79 KMT2A (0.53) KMT2AMEN1EPHX1EPHX2HPGD
SCHEMBL7437533 0.78 HPGD (0.57) KMT2AEPHX1EPHX2HPGD
SCHEMBL18505907 0.77
SCHEMBL19000016 0.76 KMT2A (0.37) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL15429714 0.76 KMT2A (0.37) CHRM5CHRM3KMT2AMEN1FAAH
SCHEMBL20381986 0.76 CHRM5 (0.41) CHRM5CHRM3KMT2AMEN1FAAH
SCHEMBL23553285 0.74 KMT2A (0.40) CHRM5CHRM3KMT2AMEN1FAAH
SCHEMBL21660992 0.74 KMT2A (0.36) CHRM5CHRM3KMT2AMEN1FAAH

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-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 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 (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-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CHRNB2 2393/4885CHRNB4 3315/4885CHRNA3 2813/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CHRNB2 2558/4885CHRNB4 3408/4885CHRNA3 2504/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CHRNB2 2558/4885CHRNB4 3408/4885CHRNA3 2504/4885

“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.