SCHEMBL3779760

SCHEMBL3779760

N[C@H]1Cc2cccc(CN3CCOCC3)c2N(O)C1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 12/20 0.54
GOT1 P17174 1/20 0.46
KYAT1 Q16773 1/20 0.46
KYAT3 Q6YP21 1/20 0.46
CYP2A13 Q16696 5/20 0.42
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6763482 0.79 AADAT (0.69) AADATGOT1KYAT1KYAT3
SCHEMBL28947869 0.78 CYP2A13 (0.44) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL16613182 0.75 AADAT (0.63) AADATGOT1KYAT1KYAT3
SCHEMBL16613181 0.75 AADAT (0.63) AADATGOT1KYAT1KYAT3
SCHEMBL3766422 0.74 AADAT (0.54) AADATGOT1KYAT1KYAT3TSHR
SCHEMBL16612959 0.71 AADAT (1.00) AADATGOT1KYAT1KYAT3
SCHEMBL16613038 0.71 AADAT (0.68) AADATGOT1KYAT1KYAT3
SCHEMBL3774305 0.71 AADAT (1.00) AADATGOT1KYAT1KYAT3
SCHEMBL6763287 0.71 AADAT (1.00) AADATGOT1KYAT1KYAT3
SCHEMBL6763318 0.71 AADAT (1.00) AADATGOT1KYAT1KYAT3

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 7 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-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US 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
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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 2284/4885GOT1 772/4885KYAT1 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.