SCHEMBL3771005

SCHEMBL3771005

COc1cc2c(cc1Cc1ccccc1)C[C@H](NC(=O)O)C(=O)N2O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 3/20 0.71
KYAT3 Q6YP21 1/20 0.46
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
XIAP P98170 5/20 0.37
SIGMAR1 Q99720 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL6763265 0.89 AADAT (0.65) AADATKYAT3CA1
SCHEMBL3808023 0.83 AADAT (1.00) AADATKYAT3
SCHEMBL3768913 0.83 AADAT (1.00) AADATKYAT3
SCHEMBL15540315 0.76 AADAT (0.45) AADATCNR1CNR2ALDH1A1CA1
SCHEMBL6763734 0.73 AADAT (0.81) AADATKYAT3
SCHEMBL3785883 0.72 AADAT (0.56) AADATKYAT3
SCHEMBL5133142 0.71 AADAT (0.76) AADATKYAT3
SCHEMBL6763321 0.71 AADAT (0.75) AADATKYAT3ACHE
SCHEMBL3771941 0.71 AADAT (0.69) AADATKYAT3ACHE
SCHEMBL3768775 0.70 AADAT (0.67) AADATKYAT3

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 129/4885CNR1 2277/4885

“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.