SCHEMBL3774777

SCHEMBL3774777

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 8/20 0.48
KYAT3 Q6YP21 4/20 0.48
KYAT1 Q16773 3/20 0.48
ACHE P22303 10/20 0.41
GOT1 P17174 1/20 0.35
PKM P14618 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
SCHEMBL3779850 0.85 AADAT (0.46) AADATKYAT3KYAT1ACHEGOT1
SCHEMBL6763281 0.80 AADAT (0.74) AADATKYAT3KYAT1GOT1
SCHEMBL3779609 0.80 AADAT (0.54) AADATKYAT3KYAT1ACHEGOT1
SCHEMBL3783811 0.76 AADAT (0.64) AADATKYAT3KYAT1ACHEGOT1
SCHEMBL3769896 0.71 AADAT (0.64) AADATKYAT3KYAT1GOT1
SCHEMBL3771941 0.70 AADAT (0.69) AADATKYAT3KYAT1ACHE
SCHEMBL3771910 0.69 AADAT (0.67) AADATKYAT3KYAT1GOT1
SCHEMBL3774766 0.69 AADAT (0.67) AADATKYAT3KYAT1GOT1
SCHEMBL9886293 0.68 KDM1A (0.38) AADATKYAT3KYAT1
SCHEMBL9109650 0.68 FFAR4 (0.35) AADATKYAT3KYAT1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B AADAT 2284/4885KYAT3 129/4885KYAT1 69/4885

“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.