SCHEMBL462875

SCHEMBL462875

O=C(O)C1CCC(c2nnc(C3CC3(F)F)o2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADCY1 Q08828 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
KDM1A O60341 2/20 0.31
DGAT1 O75907 2/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL408292 1.00 EPHX2 (0.37) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL408394 0.85 NPC1 (0.42) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL439761 0.85 NPC1 (0.42) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL29988103 0.83 EPHX2 (0.35) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL408392 0.83 EPHX2 (0.37) EPHX2ADCY1
SCHEMBL441162 0.83 EPHX2 (0.37) EPHX2ADCY1
SCHEMBL440024 0.78 TNKS (0.39) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL408425 0.78 TNKS (0.39) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL29988313 0.77 PDK2 (0.34) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL29988165 0.75 AKR1C3 (0.34) EPHX2NPC1RAB9AADCY1AKR1C3

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT EPHX2 1660/4885NPC1 142/4885RAB9A 1525/4885

“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.