SCHEMBL20116183

SCHEMBL20116183

O=C(C1CC1)N1CCN(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.43
TBK1 Q9UHD2 6/20 0.37
IKBKE Q14164 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL20116167 0.96 S1PR1 (0.46) S1PR1TBK1IKBKEDPP4S1PR3
SCHEMBL20117075 0.94 S1PR1 (0.44) S1PR1TBK1IKBKEDPP4S1PR3
SCHEMBL20117160 0.90 S1PR1 (0.39) S1PR1TBK1IKBKEDPP4S1PR3
SCHEMBL20116162 0.89 TBK1 (0.37) S1PR1TBK1MAPTLMNATSHR
SCHEMBL20116074 0.88 PIK3CA (0.37) S1PR1MAPTLMNA
SCHEMBL20116161 0.88 TBK1 (0.39) S1PR1TBK1IKBKEMAPTLMNA
SCHEMBL20116182 0.87 S1PR1 (0.34) S1PR1DPP4
SCHEMBL22358310 0.87 S1PR1 (0.35) S1PR1TBK1IKBKE
SCHEMBL20676524 0.87 S1PR1 (0.38) S1PR1TBK1IKBKES1PR3
SCHEMBL20117213 0.86 S1PR1 (0.41) S1PR1TBK1TSHR

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

“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.