SCHEMBL9886293

SCHEMBL9886293

CC(C)Oc1ccc2c(c1)N(OC(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
NR1I3 Q14994 1/20 0.35
GAA P10253 2/20 0.35
NFKB1 P19838 4/20 0.34
NFKB2 Q00653 4/20 0.34
RELA Q04206 4/20 0.34
SCN9A Q15858 5/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KYAT1 Q16773 1/20 0.33
KYAT3 Q6YP21 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
NPY1R P25929 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL9109650 0.92 FFAR4 (0.35) KDM1ANR1I3SCN9ALMNAPOLB
SCHEMBL6762742 0.84 BACE1 (0.41) KDM1AGAANFKB1NFKB2RELA
SCHEMBL6832201 0.84 BACE1 (0.41) KDM1AGAANFKB1NFKB2RELA
SCHEMBL6762623 0.84 BACE1 (0.41) KDM1AGAANFKB1NFKB2RELA
SCHEMBL7423564 0.81 KYAT1 (0.46) KDM1AGAANFKB1NFKB2RELA
SCHEMBL6762670 0.80 AADAT (0.39) KDM1AGAANFKB1NFKB2RELA
SCHEMBL3781776 0.80 CCKBR (0.39) KDM1AKYAT1KYAT3AADAT
SCHEMBL6763949 0.79 BACE1 (0.39) KDM1AGAANFKB1NFKB2RELA
SCHEMBL7420732 0.78 KYAT1 (0.42) KDM1AGAALMNAKYAT1KYAT3
SCHEMBL3773910 0.76 PYGL (0.39) NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
WO-2012073146-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 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-20120142729-A1 KAT ll INHIBITORS KAT7, KAT2A, KATNA1 KDM1A 145/4885NR1I3 326/4885GAA 1645/4885

“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.