SCHEMBL13363643

SCHEMBL13363643

CC(C)C[C@H](NC(=O)CCCCCN)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.49
▸ NMT1 P30419 1/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.46
▸ NPY5R Q15761 5/20 0.43
▸ NPY4R P50391 5/20 0.43
▸ NPY1R P25929 4/20 0.43
▸ NPY2R P49146 2/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ PLA2G10 O15496 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DNM1 Q05193 1/20 0.41
▸ PLA2G2A P14555 2/20 0.40
▸ PLA2G5 P39877 2/20 0.40
▸ PAOX Q6QHF9 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ HPGDS O60760 1/20 0.39

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
SCHEMBL19772469 0.98 NMT2 (0.47) NMT2NMT1SLC6A5NPY5RNPY4R
SCHEMBL26168056 0.98 NMT2 (0.47) NMT2NMT1SLC6A5NPY5RNPY4R
SCHEMBL16359306 0.94 NMT1 (0.54) NMT2NMT1SLC6A5NPY5RNPY4R
SCHEMBL16359357 0.94 NMT1 (0.54) NMT2NMT1SLC6A5NPY5RNPY4R
SCHEMBL9665929 0.87 FAAH (0.59) SLC6A5PLA2G10MEN1FAAHMAPK1
SCHEMBL21587873 0.87 FAAH (0.59) SLC6A5PLA2G10MEN1FAAHMAPK1
SCHEMBL9666522 0.87 FAAH (0.59) SLC6A5PLA2G10MEN1FAAHMAPK1
SCHEMBL9666094 0.87 FAAH (0.59) SLC6A5PLA2G10MEN1FAAHMAPK1
SCHEMBL9666623 0.87 FAAH (0.59) SLC6A5PLA2G10MEN1FAAHMAPK1
SCHEMBL9664267 0.87 FAAH (0.59) SLC6A5PLA2G10MEN1FAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566494-B1 CXCR4 RECEPTOR COMPOUNDS ACER THERAPEUTICS INC (US) 2017-11-29 — — EP disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 — — US disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 — — 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 (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-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 NMT2 3349/4885NMT1 2559/4885SLC6A5 3188/4885

“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.

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