SCHEMBL20117088

SCHEMBL20117088

CCC(=O)N1CCCN(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.35
S1PR1 P21453 6/20 0.35
USP30 Q70CQ3 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
SCD5 Q86SK9 1/20 0.34
MTOR P42345 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL20116162 0.97 TBK1 (0.37) TBK1S1PR1USP30CKS1BSKP1
SCHEMBL20116160 0.90 TBK1 (0.38) TBK1S1PR1USP30LMNAMAPT
SCHEMBL20116144 0.89 PIK3CA (0.36) S1PR1USP30MTORDPP4LMNA
SCHEMBL20117075 0.87 S1PR1 (0.44) TBK1S1PR1DPP4GBA1
SCHEMBL22358310 0.87 S1PR1 (0.35) TBK1S1PR1USP30SCD5PIK3CD
SCHEMBL20676349 0.87 TBK1 (0.33) TBK1S1PR1USP30SCD5MTOR
SCHEMBL20116161 0.86 TBK1 (0.39) TBK1S1PR1USP30LMNAMAPT
SCHEMBL20117089 0.86 GPR119 (0.43) TBK1USP30CKS1BSKP1SKP2
SCHEMBL20116183 0.86 S1PR1 (0.43) TBK1S1PR1DPP4LMNAMAPT
SCHEMBL20116169 0.86 S1PR1 (0.35) S1PR1USP30SCD5PIK3CDHDAC8

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 TBK1 3534/4885S1PR1 2213/4885USP30 3526/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TBK1 3534/4885S1PR1 2213/4885USP30 3526/4885

“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.