SCHEMBL911429

SCHEMBL911429

Oc1cccc2scc(Br)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
HPGD P15428 4/20 0.38
ALOX15 P16050 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 4/20 0.38
RECQL P46063 3/20 0.38
TSHR P16473 2/20 0.38
APP P05067 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
SNCA P37840 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.35
DNMT1 P26358 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35

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
SCHEMBL9432222 0.79 CA2 (0.49) CA2HSD17B10MAPTALDH1A1CYP1A2
SCHEMBL29754926 0.79 CA2 (0.49) CA2HSD17B10MAPTALDH1A1CYP1A2
SCHEMBL28481670 0.77 TRPA1 (0.41) CA2HPGDALOX15HSD17B10TDP1
SCHEMBL6329505 0.74 CA2 (0.38) CA2HPGDHSD17B10MAPTTSHR
SCHEMBL6327715 0.74 ALDH1A1 (0.41) CA2MAPTTSHRALDH1A1CYP1A2
SCHEMBL28843681 0.74 CA2 (0.38) CA2HPGDTDP1MAPTTSHR
SCHEMBL6130704 0.72 KDM4E (0.45) CA2HPGDALOX15HSD17B10TSHR
SCHEMBL8425157 0.71 ESR1 (0.44) HPGDMAPTAPPMEN1KMT2A
SCHEMBL8586471 0.70 HTR2C (0.49) CA2ALOX15HSD17B10TDP1MAPT
SCHEMBL3875204 0.69 HPGD (0.52) CA2HPGDALOX15HSD17B10TDP1

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 CA2 896/4885HPGD 1495/4885ALOX15 2495/4885

“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.