SCHEMBL17606649

SCHEMBL17606649

CC(C)(C)OC(=O)CN1C(=O)OC2(CCc3ccccc32)C1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 13/20 0.45
CREBBP Q92793 5/20 0.45
HCAR2 Q8TDS4 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL23891536 0.87 EP300 (0.44) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL23891679 0.87 EP300 (0.44) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL31149069 0.85 EP300 (0.42) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL17605990 0.85 EP300 (0.42) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL17605847 0.85 EP300 (0.43) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL17605989 0.85 EP300 (0.42) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL17605850 0.85 EP300 (0.43) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL22039701 0.85 EP300 (0.42) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL22040127 0.85 EP300 (0.43) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL17606368 0.83 HCAR2 (0.52) EP300CREBBPHCAR2CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 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 (3 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 EP300 5/4885CREBBP 154/4885HCAR2 748/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A EP300 6/4885CREBBP 153/4885HCAR2 711/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 EP300 5/4885CREBBP 154/4885HCAR2 748/4885

“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.