SCHEMBL911004

SCHEMBL911004

COc1cccc(SCC=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.52
MTNR1B P49286 8/20 0.52
TERT O14746 1/20 0.45
CMA1 P23946 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
ALOX15 P16050 1/20 0.42
ACHE P22303 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL21191983 0.83 MTNR1A (0.49) MTNR1AMTNR1BMAOAMAOBACHE
SCHEMBL6340605 0.81 MTNR1A (0.55) MTNR1AMTNR1BTERTACHE
SCHEMBL10902715 0.80 MTNR1A (0.47) MTNR1AMTNR1BMAOBACHE
SCHEMBL9770325 0.80 MTNR1A (0.64) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL9541961 0.79 MTNR1A (0.59) MTNR1AMTNR1BALOX15ACHECYP1A2
SCHEMBL20309078 0.79 MTNR1A (0.52) MTNR1AMTNR1BTERTCES2CES1
SCHEMBL1951997 0.78 MTNR1A (0.47) MTNR1AMTNR1BCMA1MAOAMAOB
SCHEMBL5750902 0.78 MTNR1A (0.54) MTNR1AMTNR1BACHE
SCHEMBL4660578 0.78 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL29953723 0.77 TERT (0.41) TERTMAOAMAOBACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934212-B1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS MSD OSS BV (NL) 2013-02-20 EP disclosed
EP-1934212-B1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS MSD OSS BV (NL) 2013-02-20 EP disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
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
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US 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
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 MTNR1A 3633/4885MTNR1B 3119/4885TERT 1175/4885

“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.