SCHEMBL1587744

SCHEMBL1587744

COc1ccc2cc(OC(=O)N3CC4CCCC(C3)N4C)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 19/20 0.50
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1588232 0.83 CA12 (0.54) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL1587826 0.82 CHRNA3 (0.52) KDM2BMEN1MAPTHTTKMT2A
SCHEMBL1587765 0.80 CHRNA7 (0.64) MAPTHTTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1588233 0.79 CHRNA7 (0.63) MAPTHTTSMN1; SMN2
SCHEMBL1588498 0.78 KDM4E (0.43) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL1588512 0.77 CA12 (0.56) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL3128330 0.76 HTR1A (0.49) KDM2BMAPTKMT2A
SCHEMBL1588452 0.76 KDM4E (0.62) MEN1MAPTKMT2A
SCHEMBL2291955 0.75 CHRNA7 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL2291959 0.75 CHRNA7 (0.46) MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092487-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE-AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-04-21 US claimed
EP-2252614-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE- AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-24 EP claimed
WO-2009109517-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE- AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-09-11 WO claimed
US-20110092487-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE-AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-04-21 US disclosed
EP-2252614-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE- AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-24 EP disclosed
WO-2009109517-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE- AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-09-11 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-20110092487-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE-AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 KDM2B 1288/4885MEN1 2207/4885MAPT 1659/4885

“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.