SCHEMBL1790758

SCHEMBL1790758

COc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
ALDH1A1 P00352 1/20 0.52
HDAC4 P56524 1/20 0.50
USP30 Q70CQ3 2/20 0.48
EPHX2 P34913 2/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
STS P08842 1/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NSD2 O96028 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL409941 0.94 EPHX1 (0.52) EPHX1ALDH1A1HDAC4USP30EPHX2
SCHEMBL12065589 0.91 EPHX1 (0.55) EPHX1ALDH1A1HDAC4USP30PDE4A
SCHEMBL3546076 0.84 HDAC4 (0.52) EPHX1ALDH1A1HDAC4USP30PDE4A
SCHEMBL2962791 0.83 ALDH1A1 (0.57) EPHX1ALDH1A1HDAC4USP30STS
SCHEMBL12445024 0.82 KMT2A (0.54) EPHX1ALDH1A1HDAC4USP30PDE4A
SCHEMBL2963852 0.81 EPHX1 (0.52) EPHX1ALDH1A1HDAC4USP30EPHX2
SCHEMBL28457523 0.81 ALDH1A1 (0.70) EPHX1ALDH1A1HDAC4STSKMT2A
SCHEMBL8366262 0.81 KMT2A (0.70) EPHX1ALDH1A1HDAC4EPHX2KMT2A
SCHEMBL17572994 0.80 HDAC4 (0.60) EPHX1ALDH1A1HDAC4USP30KMT2A
SCHEMBL20944523 0.80 MEN1 (0.51) EPHX1ALDH1A1USP30STSKMT2A

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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 EPHX1 3733/4885ALDH1A1 1615/4885HDAC4 2349/4885

“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.