SCHEMBL1949772

SCHEMBL1949772

CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](Oc1ccc3cc(-c4ccco4)c(=O)oc3c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 4/20 0.36
GLA P06280 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
S1PR4 O95977 2/20 0.35
GAA P10253 2/20 0.35
S1PR1 P21453 2/20 0.35
KAT2B Q92831 1/20 0.35
TGFBR1 P36897 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL1949774 1.00 MAOB (0.40) MAOBMAOAHRH3GPR119NPC1
SCHEMBL1949225 0.84 MAOB (0.45) MAOBMAOAHRH3GPR119RAB9A
SCHEMBL1949223 0.84 MAOB (0.45) MAOBMAOAHRH3GPR119RAB9A
SCHEMBL1949495 0.81 MAOA (0.47) MAOBMAOAHRH3GPR119KDM4E
SCHEMBL1949494 0.81 MAOA (0.47) MAOBMAOAHRH3GPR119KDM4E
SCHEMBL741084 0.81 SLC6A2 (0.48) MAOBMAOAGPR119HPGDALDH1A1
SCHEMBL741083 0.81 SLC6A2 (0.48) MAOBMAOAGPR119HPGDALDH1A1
SCHEMBL15304583 0.81 SLC6A2 (0.48) MAOBMAOAGPR119HPGDALDH1A1
SCHEMBL3397777 0.80 NPC1 (0.41) MAOBMAOAGPR119NPC1RAB9A
SCHEMBL3397782 0.80 NPC1 (0.41) MAOBMAOAGPR119NPC1RAB9A

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 5/4885HRH3 333/4885

“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.