SCHEMBL20116800

SCHEMBL20116800

CC(C)c1noc2ccc(-c3noc(C4CCNCC4)n3)cc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.61
TLR9 Q9NR96 5/20 0.48
TLR8 Q9NR97 5/20 0.48
TLR7 Q9NYK1 5/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MMP12 P39900 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PLAT P00750 2/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL20117146 0.80 SMN1; SMN2 (0.55)
SCHEMBL20116613 0.79 SMO (0.53) TLR9TLR8TLR7MMP12
SCHEMBL20117150 0.79 SMN1; SMN2 (0.48) TLR9TLR8TLR7
SCHEMBL20676350 0.78 GRM5 (0.53)
SCHEMBL20676490 0.78 TLR9 (0.43) NR1H4TLR9TLR8TLR7NPC1
SCHEMBL20116037 0.77 GPR119 (0.47) TLR8TLR7
SCHEMBL20117119 0.76 SMN1; SMN2 (0.45) TLR9TLR8TLR7
SCHEMBL4416033 0.74 NPC1 (0.74) NR1H4TLR9TLR8TLR7NPC1
SCHEMBL20116145 0.74 TLR9 (0.70) NR1H4TLR9TLR8TLR7NPC1
SCHEMBL30506252 0.74 TLR9 (0.70) NR1H4TLR9TLR8TLR7NPC1

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 NR1H4 1341/4885TLR9 4108/4885TLR8 4063/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NR1H4 1341/4885TLR9 4108/4885TLR8 4063/4885

“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.