SCHEMBL911117

SCHEMBL911117

Oc1ccc(F)c2cnsc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MPI P34949 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL911007 0.84 KDM4E (0.35) KDM4EMPIL3MBTL1CA3CA6
SCHEMBL6721158 0.68 EP300 (0.44)
SCHEMBL4808435 0.68 OPRK1 (0.36)
SCHEMBL911446 0.67 KDM4E (0.37) KDM4EMPIL3MBTL1CA3CA6
SCHEMBL910839 0.63 KDM4E (0.39) KDM4EL3MBTL1CA6
SCHEMBL5533437 0.61 CA3 (0.46) KDM4EMPIL3MBTL1CA3CA6
SCHEMBL19737881 0.60 TRPM5 (0.41)
SCHEMBL12803998 0.60 KDM4E (0.39) KDM4EMPIL3MBTL1CA3CA6
SCHEMBL484933 0.60 IDO1 (0.68) KDM4EMPIL3MBTL1
SCHEMBL31540836 0.60 IDO1 (0.68) KDM4EMPIL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
EP-1934212-A1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-06-25 EP disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 WO 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-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 KDM4E 310/4885MPI 1575/4885L3MBTL1 4103/4885

“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.