SCHEMBL17087480

SCHEMBL17087480

C[C@H](CCN1CCN(C)CC1)[C@@H](O)CC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.37
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.32
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
LMNA P02545 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17524667 0.94 SIGMAR1 (0.40) PAOXTP53SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL17518388 0.89 L3MBTL1 (0.46) TP53SMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL17518309 0.87 L3MBTL1 (0.49) TP53SMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL17087399 0.86 RAB9A (0.34) L3MBTL1
SCHEMBL17087400 0.84 KDM4E (0.46) SMN1; SMN2GAAUSP2ALDH1A1LMNA
SCHEMBL17518363 0.84 DPP4 (0.33) L3MBTL1
SCHEMBL17087557 0.83 L3MBTL1 (0.31) L3MBTL1
SCHEMBL17518369 0.83 POLB (0.31) SMN1; SMN2L3MBTL1POLB
SCHEMBL17518320 0.80 KDM4E (0.41) PAOXSMN1; SMN2L3MBTL1GAAALDH1A1
SCHEMBL17524661 0.79

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-20170007664-A1 CYCLIC DEPSIPEPTIDE COMPOUNDS AND THEIR USES CYPRALIS LIMITED (GB) 2017-01-12 US disclosed
US-9382295-B2 Cyclic depsipeptide compounds and their uses CYPRALIS LIMITED (GB) 2016-07-05 US disclosed
US-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-20160039880-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2016-02-11 US disclosed
US-20150259386-A1 CYCLIC DEPSIPEPTIDE COMPOUNDS AND THEIR USES CYPRALIS LIMITED (GB) 2015-09-17 US 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 (3 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-20160039880-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 PAOX 4565/4885TP53 1567/4885SMN1; SMN2 4451/4885
US-20170007664-A1 CYCLIC DEPSIPEPTIDE COMPOUNDS AND THEIR USES FKBP14, FKBP1A, PIN1 PAOX 3922/4885TP53 679/4885SMN1; SMN2 4121/4885
US-20150259386-A1 CYCLIC DEPSIPEPTIDE COMPOUNDS AND THEIR USES FKBP14, FKBP1A, PIN1 PAOX 3922/4885TP53 679/4885SMN1; SMN2 4121/4885

“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.