SCHEMBL19366157

SCHEMBL19366157

COCCNC(=O)[C@H](CCCCNC(=N)N)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 5/20 0.33
▸ NPY1R P25929 3/20 0.33
▸ TLR2 O60603 2/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31
▸ GLP1R P43220 3/20 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
SCHEMBL16572335 0.90 NPY1R (0.31) NPY4RNPY1R
SCHEMBL20094872 0.81 — —
SCHEMBL11727564 0.81 USP2 (0.37) NPY4RNPY1RNPY2RNPY5R
SCHEMBL16572076 0.78 SIRT6 (0.37) TLR2SIRT6SIRT1
SCHEMBL16627709 0.75 SPHK1 (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL16572314 0.75 SPHK1 (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL25603967 0.73 MEN1 (0.31) —
SCHEMBL19750583 0.72 KDM4E (0.42) —
SCHEMBL1344935 0.71 C3AR1 (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL11737292 0.70 C3AR1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267649-A1 STABLE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 — — 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-20170267649-A1 STABLE SODIUM CHANNEL BLOCKERS SCN1B, SCN2B, CACNA1B NPY4R 1088/4885NPY1R 1090/4885TLR2 4119/4885

“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.

Send feedback