SCHEMBL20117079

SCHEMBL20117079

CC(C)(C)OC(=O)N1CCC(c2nnc(-c3ccc4cnn(C5COC5)c4c3)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
GPR119 Q8TDV5 11/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 2/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
ATR Q13535 1/20 0.41
AURKB Q96GD4 1/20 0.41
HTT P42858 1/20 0.40
FAAH O00519 2/20 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
SCHEMBL20676361 0.94 TLR8 (0.47) TLR8TLR7GPR119SMN1; SMN2GAA
SCHEMBL20116247 0.91 MAPT (0.43) TLR8TLR7GPR119MAPTPIK3CA
SCHEMBL20676216 0.89 TLR8 (0.38) TLR8TLR7GPR119MAPT
SCHEMBL20676211 0.87 TLR8 (0.38) TLR8TLR7GPR119MAPT
SCHEMBL20676214 0.86 GPR119 (0.46) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL22358260 0.86 GPR119 (0.49) GPR119SMN1; SMN2PIK3CAMTORPIK3CG
SCHEMBL20676369 0.85 GPR119 (0.56) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL20116041 0.85 GPR119 (0.49) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL20676229 0.85 TLR8 (0.54) TLR8TLR7GPR119SMN1; SMN2GAA
SCHEMBL20676592 0.85 GPR119 (0.50) GPR119PIK3CAMTORPIK3CGATR

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 TLR8 4063/4885TLR7 2921/4885GPR119 2922/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TLR8 4063/4885TLR7 2921/4885GPR119 2922/4885

“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.