SCHEMBL2677882

SCHEMBL2677882

NC1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.59
P2RX7 Q99572 7/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.54

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 1.00 EPHX2 (0.59) EPHX2P2RX7CA12CA1CA2
SCHEMBL13882047 0.86 P2RX7 (0.61) EPHX2P2RX7GAAHTT
SCHEMBL2260332 0.85 CHRM1 (0.61) EPHX2P2RX7CA12CA1CA2
SCHEMBL2678364 0.85 P2RX7 (0.55) EPHX2P2RX7CA12CA1CA2
SCHEMBL5040250 0.85 P2RX7 (0.56) EPHX2P2RX7CA12CA1CA2
Bromide SCHEMBL11408063 0.84 CHRM1 (0.60) EPHX2P2RX7CA12CA1CA2
SCHEMBL5019883 0.84 CYP2D6 (0.45) EPHX2P2RX7CA12CA1CA2
SCHEMBL1859048 0.82 CYP2D6 (0.52) EPHX2P2RX7CA12CA1CA2
SCHEMBL2679250 0.81 EPHX2 (0.54) EPHX2
SCHEMBL2679252 0.81 EPHX2 (0.54) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214487-B1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC (US) 2013-11-27 EP disclosed
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 EPHX2 8/4885P2RX7 3827/4885CA12 1754/4885
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE NCEH1, EPHX1, FAH EPHX2 4/4885P2RX7 3031/4885CA12 4126/4885

“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.