SCHEMBL3133466

SCHEMBL3133466

Brc1ccc2cc3c(cc2c1)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
MAOB P27338 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
MAOA P21397 1/20 0.41
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MC4R P32245 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL154708 0.79 LMNA (0.65) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL29459415 0.79 LMNA (0.65) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL1136696 0.77 MAPT (0.63) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL30304403 0.77 MAPT (0.63) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL23625930 0.77 L3MBTL1 (0.40) MAOBMEN1KMT2AALDH1A1CASP3
SCHEMBL30952891 0.77 L3MBTL1 (0.40) MAOBMEN1KMT2AALDH1A1CASP3
SCHEMBL3561759 0.76 SIRT2 (0.40) CYP2A6MAOBMEN1KMT2AMAPT
SCHEMBL17849092 0.75 CYP2A6 (0.68) CYP2A6MEN1KMT2AMAPTKDM4E
SCHEMBL148642 0.75 CYP2A6 (0.68) CYP2A6MEN1KMT2AMAPTKDM4E
SCHEMBL17849089 0.75 CYP2A6 (0.68) CYP2A6MEN1KMT2AMAPTKDM4E

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-8071598-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-12-06 US disclosed
US-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-06-24 US disclosed
US-7700596-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-04-20 US disclosed
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-02-05 US 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 (2 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-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A3, SLC6A2 CYP2A6 429/4885MAOB 8/4885MEN1 1894/4885
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CYP2A6 536/4885MAOB 7/4885MEN1 1448/4885

“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.