SCHEMBL20116396

SCHEMBL20116396

O=C(C1CCC1)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.46
USP7 Q93009 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 7/20 0.38
HTT P42858 1/20 0.37
HSD11B1 P28845 1/20 0.37
IKBKE Q14164 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
SCHEMBL20676311 0.96 TBK1 (0.45) TBK1USP7USP30SMN1; SMN2ALDH1A1
SCHEMBL20676726 0.94 TBK1 (0.44) TBK1USP7USP30SMN1; SMN2ALDH1A1
SCHEMBL22358410 0.90 TBK1 (0.43) TBK1USP7USP30SMN1; SMN2ALDH1A1
SCHEMBL20116089 0.88 SMO (0.42) TBK1USP7USP30SMN1; SMN2ALDH1A1
SCHEMBL20117073 0.87 USP7 (0.40) TBK1USP7USP30SMN1; SMN2ALDH1A1
SCHEMBL20676660 0.87 USP7 (0.41) TBK1USP7USP30SMN1; SMN2ALDH1A1
SCHEMBL20116423 0.87 FASN (0.43) TBK1USP7USP30SMN1; SMN2HTT
SCHEMBL20116305 0.87 USP7 (0.41) TBK1USP7USP30SMN1; SMN2ALDH1A1
SCHEMBL20116522 0.87 USP7 (0.41) TBK1USP7USP30SMN1; SMN2HTT
SCHEMBL20676577 0.87 TBK1 (0.39) TBK1USP7USP30GRM5

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 3534/4885USP7 4265/4885USP30 3526/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TBK1 3534/4885USP7 4265/4885USP30 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.