SCHEMBL1949223

SCHEMBL1949223

CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](Oc1ccc3cc(Br)c(=O)oc3c1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
MAOA P21397 3/20 0.43
KAT2B Q92831 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
GPR119 Q8TDV5 7/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
EIF2AK4 Q9P2K8 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
SCHEMBL1949225 1.00 MAOB (0.45) MAOBMAOAKAT2BHRH3CHRM2
SCHEMBL3183936 0.96 MAOB (0.44) MAOBMAOAKAT2BCHRM2CHRM1
SCHEMBL3183943 0.96 MAOB (0.44) MAOBMAOAKAT2BCHRM2CHRM1
SCHEMBL1091288 0.96 MAOB (0.44) MAOBMAOAKAT2BCHRM2CHRM1
SCHEMBL1091655 0.89 SLC6A2 (0.45) MAOBKAT2BCHRM2CHRM1CHRM3
SCHEMBL1091653 0.89 SLC6A2 (0.45) MAOBKAT2BCHRM2CHRM1CHRM3
SCHEMBL1949494 0.87 MAOA (0.47) MAOBMAOAKAT2BHRH3CHRM2
SCHEMBL1949495 0.87 MAOA (0.47) MAOBMAOAKAT2BHRH3CHRM2
SCHEMBL15304583 0.86 SLC6A2 (0.48) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL741083 0.86 SLC6A2 (0.48) MAOBMAOACHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136854-A1 NOVEL 9-AZA-BICYCLO[3.3.1]NON-3-YLOXY CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-06-09 US disclosed
EP-2242754-A1 NOVEL 9-AZA-BICYCLO[3.3.1]NON-3-YLOXY CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-10-27 EP disclosed
WO-2009098209-A1 NOVEL 9-AZA-BICYCLO[3.3.1]NON-3-YLOXY CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-08-13 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-20110136854-A1 NOVEL 9-AZA-BICYCLO[3.3.1]NON-3-YLOXY CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 MAOB 8/4885MAOA 5/4885KAT2B 1420/4885

“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.