SCHEMBL3769052

SCHEMBL3769052

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(OC(F)(F)F)c1[N+](=O)[O-])C(=O)OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
SCN9A Q15858 16/20 0.41
CACNA1C Q13936 2/20 0.41
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CYP3A4 P08684 1/20 0.39
SCN10A Q9Y5Y9 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
SCHEMBL27985683 1.00 TACR1 (0.43) TACR1SCN9ACACNA1CCTSSCTSK
SCHEMBL3780643 0.89 CTSS (0.45) SCN9ACACNA1CCTSSCTSKCYP3A4
SCHEMBL3780647 0.89 CTSS (0.45) SCN9ACACNA1CCTSSCTSKCYP3A4
SCHEMBL1269650 0.77 SCN9A (0.54) TACR1SCN9ACACNA1CCTSSCTSK
SCHEMBL1269653 0.77 SCN9A (0.54) TACR1SCN9ACACNA1CCTSSCTSK
SCHEMBL1270449 0.73 SCN9A (0.54) SCN9ACACNA1CCTSSCTSKCYP3A4
SCHEMBL1270451 0.73 SCN9A (0.54) SCN9ACACNA1CCTSSCTSKCYP3A4
SCHEMBL6763938 0.72 PTGER1 (0.40)
SCHEMBL3773215 0.72 AAK1 (0.53) SCN9ACACNA1CCYP3A4
SCHEMBL9912465 0.72 PPARG (0.35) TACR1SCN9ACTSSCTSKCYP3A4

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 5 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
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN 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

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 TACR1 3020/4885SCN9A 1463/4885CACNA1C 1894/4885

“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.