SCHEMBL20116176

SCHEMBL20116176

COC(=O)N1CCN(c2noc(-c3ccc4cnn(C5CNC5)c4c3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
S1PR1 P21453 3/20 0.36
MAPT P10636 3/20 0.35
DPP4 P27487 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
PIK3CG P48736 2/20 0.34
MAPK14 Q16539 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
SMO Q99835 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PLAT P00750 1/20 0.33
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 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
SCHEMBL20116963 0.91 GPR119 (0.45) GPR119PIK3CAMTORPIK3CGLRRK2
SCHEMBL20116074 0.90 PIK3CA (0.37) DGAT1S1PR1MAPTNPC1LMNA
SCHEMBL20117081 0.89 DGAT1 (0.36) DGAT1S1PR1MAPTNPC1LMNA
SCHEMBL20674684 0.89 S1PR1 (0.37) DGAT1S1PR1MAPTNPC1LMNA
SCHEMBL20116144 0.87 PIK3CA (0.36) DGAT1S1PR1MAPTDPP4NPC1
SCHEMBL20116058 0.86 MAPT (0.49) MAPTNPC1LMNAHTTTHRB
SCHEMBL20116177 0.85 SMO (0.41) NPC1LMNAHTTGPR119SMO
SCHEMBL20117072 0.84 ALDH1A1 (0.42) S1PR1MAPTLMNAHTTSMN1; SMN2
SCHEMBL20676475 0.83 GPR119 (0.39) GPR119PIK3CAMTORPIK3CGLRRK2
SCHEMBL20116504 0.83 HDAC8 (0.39) DGAT1S1PR1MAPTNPC1LMNA

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-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 DGAT1 3020/4885S1PR1 2213/4885MAPT 22/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 DGAT1 3020/4885S1PR1 2213/4885MAPT 22/4885

“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.