SCHEMBL910981

SCHEMBL910981

CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](O)C2

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.87
CHRM1 P11229 1/20 0.87
CHRM3 P20309 1/20 0.87
PREP P48147 4/20 0.50
KAT2B Q92831 1/20 0.42
HSD11B1 P28845 1/20 0.40
HPGD P15428 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.38
EPHX1 P07099 1/20 0.38
NR1H2 P55055 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BTK Q06187 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL910608 1.00 CHRM2 (0.87) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL910610 1.00 CHRM2 (0.87) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL31080439 1.00 CHRM2 (0.87) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL219188 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL22433392 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL19082743 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL641026 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL20636193 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL10106331 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPKAT2B
SCHEMBL1023170 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPKAT2B

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 12 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
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO 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 CHRM2 1569/4885CHRM1 1450/4885CHRM3 1053/4885

“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.