SCHEMBL3779729

SCHEMBL3779729

N[C@H]1Cc2cc(Oc3ccc4c(c3)CCC4)cnc2N(O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 17/20 0.52
KYAT3 Q6YP21 4/20 0.52
KYAT1 Q16773 3/20 0.52
HRH3 Q9Y5N1 2/20 0.41
GOT1 P17174 1/20 0.39

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
SCHEMBL16612895 0.85 AADAT (0.51) AADATKYAT3KYAT1GOT1
SCHEMBL16613022 0.85 AADAT (0.51) AADATKYAT3KYAT1HRH3GOT1
SCHEMBL3773972 0.85 AADAT (0.59) AADATKYAT3KYAT1
SCHEMBL3778827 0.85 AADAT (0.53) AADATKYAT3KYAT1GOT1
SCHEMBL3770847 0.85 AADAT (0.65) AADATKYAT3KYAT1GOT1
SCHEMBL3806890 0.85 AADAT (0.65) AADATKYAT3KYAT1GOT1
SCHEMBL3779677 0.83 AADAT (0.44) AADATKYAT3KYAT1GOT1
SCHEMBL3786050 0.83 AADAT (0.48) AADATKYAT3KYAT1
SCHEMBL3776005 0.82 AADAT (0.50) AADATKYAT3KYAT1HRH3GOT1
SCHEMBL3779639 0.82 AADAT (0.53) AADATKYAT3KYAT1GOT1

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.