SCHEMBL10036786

SCHEMBL10036786

COCCOc1ccc2c(c1)N(O)C(=O)[C@@H](C)C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 3/20 0.53
KYAT1 Q16773 1/20 0.53
KYAT3 Q6YP21 1/20 0.53
BRD4 O60885 1/20 0.43
CCL2 P13500 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
OPRM1 P35372 1/20 0.41
TIPARP Q7Z3E1 1/20 0.40
OPRK1 P41145 6/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 5/20 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
SCHEMBL10036788 1.00 AADAT (0.53) AADATKYAT1KYAT3BRD4CCL2
SCHEMBL10036777 1.00 AADAT (0.53) AADATKYAT1KYAT3BRD4CCL2
SCHEMBL3768679 0.86 AADAT (0.73) AADATKYAT1KYAT3OPRM1TIPARP
SCHEMBL9886184 0.86 AADAT (0.73) AADATKYAT1KYAT3OPRM1TIPARP
SCHEMBL9107683 0.86 AADAT (0.73) AADATKYAT1KYAT3OPRM1TIPARP
SCHEMBL10067710 0.83 AADAT (0.49) AADATKYAT1KYAT3BRD4CCL2
SCHEMBL10036790 0.82 AADAT (0.50) AADATKYAT1KYAT3ACHE
SCHEMBL10036779 0.82 AADAT (0.50) AADATKYAT1KYAT3ACHE
SCHEMBL10036789 0.82 AADAT (0.50) AADATKYAT1KYAT3ACHE
SCHEMBL9886179 0.78 KYAT1 (0.44) AADATKYAT1KYAT3BRD4FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 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-20120142729-A1 KAT ll INHIBITORS KAT7, KAT2A, KATNA1 AADAT 1043/4885KYAT1 46/4885KYAT3 90/4885

“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.