SCHEMBL20116656

SCHEMBL20116656

CC(C)n1ncc2ccc(-c3noc(N4C[C@H]5CN(C(=O)CC(C)(C)C)C[C@H]5C4)n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
PTGER3 P43115 1/20 0.35
SCD5 Q86SK9 1/20 0.34
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
ACACB O00763 1/20 0.33
TP53 P04637 1/20 0.33
S1PR3 Q99500 1/20 0.33
PIK3CD O00329 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALOX5AP P20292 1/20 0.32
KMO O15229 1/20 0.32
GRM5 P41594 2/20 0.31

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
SCHEMBL20116481 1.00 S1PR1 (0.36) S1PR1S1PR4S1PR5MAPTLMNA
SCHEMBL22357905 0.89 MAPT (0.42) MAPTLMNANPC1HTTTP53
SCHEMBL20116239 0.89 MAPT (0.36) S1PR1MAPTLMNAPTGER3SCD5
SCHEMBL20116672 0.86 GPR119 (0.40) MAPTLMNANPC1HTTHDAC8
SCHEMBL22358024 0.86 GPR119 (0.40) MAPTLMNANPC1HTTHDAC8
SCHEMBL22358124 0.85 GRM5 (0.44) GRM5
SCHEMBL20116477 0.85 MAPT (0.39) MAPTLMNAPTGER3NPC1HTT
SCHEMBL20676500 0.81 BRD4 (0.35) S1PR1MAPTLMNAPTGER3SCD5
SCHEMBL22358432 0.81 PIK3CD (0.34) S1PR1S1PR4S1PR5MAPTLMNA
SCHEMBL22357992 0.81 SMN1; SMN2 (0.44) LMNANPC1HTTGRM5

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 S1PR1 2213/4885S1PR4 1773/4885S1PR5 1357/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 S1PR1 2213/4885S1PR4 1773/4885S1PR5 1357/4885

“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.