SCHEMBL5019883

SCHEMBL5019883

[C-]#[N+]c1ccc(CNC(=O)[C@H]2CC[C@@H](N)CC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 10/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 4/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2677880 0.84 EPHX2 (0.59) EPHX2P2RX7CA12CA1CA2
SCHEMBL2677882 0.84 EPHX2 (0.59) EPHX2P2RX7CA12CA1CA2
SCHEMBL5040250 0.80 P2RX7 (0.56) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1859048 0.77 CYP2D6 (0.52) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL2679252 0.76 EPHX2 (0.54) EPHX2
SCHEMBL2679250 0.76 EPHX2 (0.54) EPHX2
SCHEMBL1867206 0.74 EPHX2 (0.53) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1865276 0.72 CYP2D6 (0.50) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL2467120 0.72 NPC1 (0.66) PKMEPHX2MEN1KMT2AP2RX7
SCHEMBL13882047 0.70 P2RX7 (0.61) EPHX2MEN1KMT2AP2RX7GAA

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
US-8212032-B2 sEH inhibitors and their use GLAXOSMITHKLINE LLC. (US) 2012-07-03 US disclosed
US-8173805-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2012-05-08 US disclosed
US-20100249137-A1 Novel sEH Inhibitors and Their Use GlaxoSmithKline, LLC 2010-09-30 US disclosed
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 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 (2 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-20100249137-A1 Novel sEH Inhibitors and Their Use NCEH1, CTH, EPHX1 CYP2D6 424/4885PKM 2750/4885CYP2C19 583/4885
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE NCEH1, EPHX1, FAH CYP2D6 161/4885PKM 1534/4885CYP2C19 200/4885

“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.