SCHEMBL20116162

SCHEMBL20116162

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.37
S1PR1 P21453 4/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
MTOR P42345 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP30 Q70CQ3 1/20 0.34
SCD5 Q86SK9 1/20 0.34
JAK2 O60674 1/20 0.34
PIK3CD O00329 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL20117088 0.97 TBK1 (0.35) TBK1S1PR1CKS1BSKP1SKP2
SCHEMBL22358310 0.91 S1PR1 (0.35) TBK1S1PR1USP30SCD5PIK3CD
SCHEMBL20676349 0.90 TBK1 (0.33) TBK1S1PR1MTORUSP30SCD5
SCHEMBL20116161 0.90 TBK1 (0.39) TBK1S1PR1MAPTLMNASMN1; SMN2
SCHEMBL20116183 0.89 S1PR1 (0.43) TBK1S1PR1MAPTLMNAMAPK1
SCHEMBL20116169 0.89 S1PR1 (0.35) S1PR1USP30SCD5PIK3CDHDAC8
SCHEMBL20116074 0.88 PIK3CA (0.37) S1PR1MTORMAPTLMNANPC1
SCHEMBL22358043 0.87 MAPT (0.36) S1PR1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL20116160 0.87 TBK1 (0.38) TBK1S1PR1MAPTLMNASMN1; SMN2
SCHEMBL20116167 0.86 S1PR1 (0.46) TBK1S1PR1

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 2213/4885CKS1B 4565/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TBK1 3534/4885S1PR1 2213/4885CKS1B 4565/4885

“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.