SCHEMBL1928972

SCHEMBL1928972

CC(C)(C)OC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CC#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NSD2 O96028 1/20 0.41
GPR119 Q8TDV5 3/20 0.39
CTSK P43235 3/20 0.39
EPHX2 P34913 1/20 0.39
RECQL P46063 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL647517 0.89 EPHX1 (0.42) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4103070 0.85 EPHX1 (0.56) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4103071 0.85 EPHX1 (0.56) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1134286 0.85 EPHX1 (0.56) EPHX1ALDH1A1MAPTL3MBTL1THRB
SCHEMBL3403417 0.85 EPHX1 (0.56) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL647333 0.85 EPHX1 (0.38) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8005306 0.83 EPHX1 (0.54) EPHX1ALDH1A1MAPTL3MBTL1THRB
SCHEMBL1929266 0.83 EPHX1 (0.54) EPHX1ALDH1A1MAPTL3MBTL1THRB
SCHEMBL4422275 0.81 THRB (0.38) L3MBTL1THRBATM
SCHEMBL8226630 0.80 EPHX1 (0.59) EPHX1ALDH1A1MAPTMEN1KMT2A

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-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 EPHX1 1448/4885ALDH1A1 837/4885MAPT 2847/4885

“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.