SCHEMBL3071185

SCHEMBL3071185

C[C@H](O)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.63
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX2 P34913 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
RECQL P46063 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45

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
SCHEMBL3069244 1.00 EPHX1 (0.63) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL16558896 0.90 EPHX1 (0.65) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL29058306 0.87 EPHX1 (0.62) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL1308365 0.86 EPHX1 (0.60) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL18745272 0.85 EPHX1 (0.59) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL14086761 0.83 EPHX1 (0.69) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL18745232 0.83 EPHX1 (0.60) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL2014950 0.81 EPHX1 (0.70) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL18926997 0.81 EPHX1 (0.70) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL618966 0.81 EPHX1 (0.66) EPHX1ALDH1A1L3MBTL1MAPTMAPK1

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 EPHX1 4210/4885ALDH1A1 1772/4885L3MBTL1 4680/4885

“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.