SCHEMBL19851616

SCHEMBL19851616

CC(C)CC(=O)Nc1cnn(C)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
ALDH1A1 P00352 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
HTT P42858 1/20 0.67
PTPN1 P18031 2/20 0.51
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.46
NAMPT P43490 2/20 0.45
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL25020926 0.81 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1L3MBTL1HTTRAB9A
SCHEMBL16614205 0.80 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1L3MBTL1HTTEPHX2
SCHEMBL30738415 0.79 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1L3MBTL1HTTRAB9A
SCHEMBL23976511 0.79 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1L3MBTL1HTTEPHX2
SCHEMBL19699489 0.78 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1HTTEPHX2
SCHEMBL22775067 0.77 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1L3MBTL1HTTRAB9A
SCHEMBL22775284 0.77 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1L3MBTL1HTTEPHX2
SCHEMBL22648389 0.77 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1L3MBTL1HTTRAB9A
SCHEMBL22793307 0.77 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1HTTLMNA
SCHEMBL30074920 0.77 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1L3MBTL1HTTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198031-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-06-21 EP disclosed
US-10947214-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20210002255-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 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-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 43/4885ALDH1A1 2071/4885L3MBTL1 2570/4885
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 2610/4885ALDH1A1 2465/4885L3MBTL1 3637/4885
US-10947214-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 SMN1; SMN2 2610/4885ALDH1A1 2465/4885L3MBTL1 3637/4885
US-20210002255-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 1191/4885ALDH1A1 3188/4885L3MBTL1 1684/4885

“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.