SCHEMBL355075

SCHEMBL355075

COC(=O)c1ccc2c(c1)CC(NC(=O)C1(C)CCN(C(=O)OC)C(C(C)(C)C)C1)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
ACHE P22303 3/20 0.37
OPRD1 P41143 1/20 0.36
HDAC8 Q9BY41 7/20 0.34
DRD4 P21917 2/20 0.33
CNR2 P34972 1/20 0.33
DRD2 P14416 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL355074 0.85 MTNR1A (0.38) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354658 0.83 NPC1 (0.42) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL434563 0.82 MTNR1A (0.43) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354927 0.73 MTNR1A (0.52) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354456 0.73 HDAC8 (0.46) HDAC8HDAC6
SCHEMBL10253259 0.72 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354268 0.72 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL469781 0.69 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354190 0.69 CA1 (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL464149 0.68 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MTNR1A 1476/4885MTNR1B 944/4885CA1 506/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 MTNR1A 1616/4885MTNR1B 1109/4885CA1 725/4885

“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.