SCHEMBL13855548

SCHEMBL13855548

CCCCCCCCCCCCCCOC(=O)C(N)CCCCNC(=O)CCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.55
▸ CASP2 P42575 1/20 0.51
▸ GNAI3 P08754 1/20 0.51
▸ GNAO1 P09471 1/20 0.51
▸ GNAI1 P63096 1/20 0.51
▸ FAAH O00519 3/20 0.50
▸ DPP7 Q9UHL4 1/20 0.50
▸ SLC6A5 Q9Y345 2/20 0.49
▸ NAAA Q02083 1/20 0.49
▸ DNM1 Q05193 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ EPHX2 P34913 3/20 0.47
▸ RRM1 P23921 1/20 0.47

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
SCHEMBL7262356 0.97 NOD1 (0.54) NOD1CASP2GNAI3GNAO1GNAI1
SCHEMBL7262358 0.91 NOD1 (0.51) NOD1CASP2GNAI3GNAO1GNAI1
SCHEMBL13422874 0.90 NOD1 (0.58) NOD1CASP2GNAI3GNAO1GNAI1
SCHEMBL17761085 0.89 NOD1 (0.56) NOD1CASP2GNAI3GNAO1GNAI1
SCHEMBL2041818 0.87 NOD1 (0.52) NOD1CASP2GNAI3GNAO1GNAI1
SCHEMBL9934473 0.84 SLC6A5 (0.57) SLC6A5EPHX2
SCHEMBL9934475 0.84 SLC6A5 (0.57) SLC6A5EPHX2
SCHEMBL9933130 0.84 SLC6A5 (0.57) SLC6A5EPHX2
SCHEMBL9942237 0.84 SLC6A5 (0.57) SLC6A5EPHX2
SCHEMBL9933128 0.84 SLC6A5 (0.57) SLC6A5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647613-B2 Drug carrier JCR PHARMACEUTICALS CO., LTD. (JP) 2014-02-11 — — US disclosed
US-8647613-B2 Drug carrier JCR PHARMACEUTICALS CO., LTD. (JP) 2014-02-11 — — US disclosed
US-20090136443-A1 Drug Carrier OXGENIX CO., LTD. (JP) 2009-05-28 — — 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-20090136443-A1 Drug Carrier ABCB11, SLC47A1, SLC47A2 NOD1 2645/4885CASP2 4139/4885GNAI3 1601/4885

“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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