SCHEMBL1316546

SCHEMBL1316546

CC(C)(CCl)C(=O)N1CCC(CNC(=O)NC2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.57
EPHX2 P34913 7/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4010328 0.75 EPHX2 (0.69) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL12196107 0.75 EPHX1 (1.00) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL20402859 0.71 EPHX1 (0.83) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL1316952 0.68 EPHX1 (0.77) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL949402 0.68 RIPK1 (0.38) ALDH1A1HPGDL3MBTL1
SCHEMBL8598891 0.67 EPHX1 (0.75) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL8598712 0.67 EPHX1 (0.75) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL4539572 0.66 KDM4E (0.53) EPHX1EPHX2KDM4EALDH1A1HTT
SCHEMBL4016671 0.65 EPHX2 (0.54) EPHX1EPHX2
SCHEMBL10254622 0.64 EPHX1 (0.68) EPHX1EPHX2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275670-A1 New Compounds VII BIOVITRUM AB (SE) 2011-11-10 US claimed
EP-2321276-A1 NEW COMPOUNDS VII AstraZeneca AB (SE) 2011-05-18 EP claimed
WO-2009147219-A1 NEW COMPOUNDS VII BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-20110275670-A1 New Compounds VII BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2321276-A1 NEW COMPOUNDS VII AstraZeneca AB (SE) 2011-05-18 EP disclosed
WO-2009147219-A1 NEW COMPOUNDS VII BIOVITRUM AB (PUBL) (SE) 2009-12-10 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-20110275670-A1 New Compounds VII GPR119, GLP1R, GIPR EPHX1 3339/4885EPHX2 2804/4885KDM4E 2394/4885

“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.