SCHEMBL2246162

SCHEMBL2246162

CC(CNc1nc(Cl)nc(NC2CCC(C(=O)O)CC2)n1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.64
▸ CYP2C9 P11712 1/20 0.44
▸ NPR3 P17342 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ RORC P51449 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ VCP P55072 1/20 0.40

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
SCHEMBL2246155 1.00 EPHX2 (0.64) EPHX2CYP2C9NPR3CYP2C19CTSS
SCHEMBL2246160 1.00 EPHX2 (0.64) EPHX2CYP2C9NPR3CYP2C19CTSS
SCHEMBL2241509 0.90 EPHX2 (0.77) EPHX2CYP2C9CTSSCTSKTAAR1
SCHEMBL2241518 0.90 EPHX2 (0.77) EPHX2CYP2C9CTSSCTSKTAAR1
SCHEMBL2241513 0.90 EPHX2 (0.77) EPHX2CYP2C9CTSSCTSKTAAR1
SCHEMBL2676303 0.82 EPHX2 (0.76) EPHX2CYP2C9NPR3CYP2C19
SCHEMBL2676298 0.82 EPHX2 (0.76) EPHX2CYP2C9NPR3CYP2C19
SCHEMBL2244134 0.80 TAAR1 (0.49) EPHX2TAAR1NPC1RAB9A
SCHEMBL2244129 0.80 TAAR1 (0.49) EPHX2TAAR1NPC1RAB9A
SCHEMBL2238840 0.78 EPHX2 (1.00) EPHX2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994317-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2011-08-09 — — US disclosed
US-20100069391-A1 Novel sEH Inhibitors and Their Use SMITHKLINE BEECHAM CORPORATION 2010-03-18 — — 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-20100069391-A1 Novel sEH Inhibitors and Their Use FAH, NCEH1, SELENOI EPHX2 16/4885CYP2C9 543/4885NPR3 4285/4885

“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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