SCHEMBL17518320

SCHEMBL17518320

C[C@H](CCN1CCCOCC1)[C@@H](O)CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
PAOX Q6QHF9 1/20 0.35
MAPT P10636 2/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 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
SCHEMBL17087400 0.94 KDM4E (0.46) KDM4EGAAGLASMN1; SMN2ALDH1A1
SCHEMBL17518388 0.87 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL17518390 0.86 GAA (0.48) KDM4EGAAGLASMN1; SMN2ALDH1A1
SCHEMBL17518309 0.86 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL17518331 0.85 GAA (0.47) KDM4EGAAGLASMN1; SMN2ALDH1A1
SCHEMBL17518251 0.84 GAA (0.46) KDM4EGAAGLASMN1; SMN2ALDH1A1
SCHEMBL17524667 0.81 SIGMAR1 (0.40) L3MBTL1SMN1; SMN2PAOX
SCHEMBL17087480 0.80 PAOX (0.37) GAAL3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL17518316 0.77 KMT2A (0.35) KDM4EL3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL17518363 0.77 DPP4 (0.33) L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 4374/4885GAA 1994/4885GLA 1215/4885

“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.