SCHEMBL20116247

SCHEMBL20116247

COC(=O)N1CCC(c2nnc(-c3ccc4cnn(C5COC5)c4c3)o2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMO Q99835 1/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
PIK3CA P42336 4/20 0.40
MTOR P42345 4/20 0.40
TLR9 Q9NR96 2/20 0.39
TP53 P04637 4/20 0.38
GPR119 Q8TDV5 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPK14 Q16539 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
HDAC3 O15379 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FAAH O00519 1/20 0.38
PIK3CD O00329 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL20117079 0.91 TLR8 (0.49) MAPTTLR8TLR7PIK3CAMTOR
SCHEMBL20676216 0.90 TLR8 (0.38) MAPTSMOTLR8TLR7TLR9
SCHEMBL20676211 0.89 TLR8 (0.38) MAPTSMOTLR8TLR7TLR9
SCHEMBL20676361 0.86 TLR8 (0.47) MAPTTLR8TLR7PIK3CAMTOR
SCHEMBL20116039 0.85 SMO (0.52) MAPTSMOPIK3CAMTORPOLB
SCHEMBL20117087 0.85 TLR8 (0.45) MAPTSMOTLR8TLR7TLR9
SCHEMBL20676578 0.84 PIK3CD (0.38) MAPTSMOTLR8TLR7TLR9
SCHEMBL20676563 0.84 SMO (0.39) MAPTSMOTLR8TLR7TLR9
SCHEMBL20116089 0.84 SMO (0.42) SMOPIK3CAMTORGPR119PIK3CG
SCHEMBL20116243 0.81 KDM4E (0.42) SMOPIK3CAMTORGPR119

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 MAPT 22/4885SMO 1858/4885TLR8 4063/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885SMO 1858/4885TLR8 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.