SCHEMBL20116161

SCHEMBL20116161

O=C(CC1CC1)N1CCN(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.39
IKBKE Q14164 1/20 0.39
S1PR1 P21453 3/20 0.36
ADAM10 O14672 2/20 0.35
ERBB2 P04626 2/20 0.35
MMP2 P08253 2/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
RET P07949 2/20 0.33
PIK3CD O00329 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL20116160 0.97 TBK1 (0.38) TBK1IKBKES1PR1ADAM10ERBB2
SCHEMBL20676588 0.91 TBK1 (0.36) TBK1IKBKES1PR1ADAM10ERBB2
SCHEMBL20116162 0.90 TBK1 (0.37) TBK1S1PR1LMNAMAPTSMN1; SMN2
SCHEMBL20116183 0.88 S1PR1 (0.43) TBK1IKBKES1PR1LMNAMAPT
SCHEMBL20116797 0.87 MAPT (0.41) ALDH1A1LMNAPOLBCYP3A4MAPT
SCHEMBL20117088 0.86 TBK1 (0.35) TBK1S1PR1LMNAMAPTSMN1; SMN2
SCHEMBL20676310 0.86 TBK1 (0.47) TBK1IKBKEALDH1A1LMNAPOLB
SCHEMBL20116167 0.86 S1PR1 (0.46) TBK1IKBKES1PR1
SCHEMBL20116169 0.86 S1PR1 (0.35) S1PR1USP30PIK3CD
SCHEMBL20116074 0.85 PIK3CA (0.37) S1PR1LMNAMAPTHTTSMO

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 3534/4885IKBKE 2387/4885S1PR1 2213/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TBK1 3534/4885IKBKE 2387/4885S1PR1 2213/4885

“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.