SCHEMBL1587765

SCHEMBL1587765

CN1C2CCCC1CN(C(=O)Oc1ccc(Br)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.64
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL1588233 0.99 CHRNA7 (0.63) CHRNA7ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1588278 0.94 CHRNA7 (0.60) CHRNA7ALDH1A1POLBSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1587563 0.93 CHRNA7 (0.59) CHRNA7ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL2291955 0.81 CHRNA7 (0.46) CHRNA7ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL2291959 0.81 CHRNA7 (0.46) CHRNA7ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1587744 0.80 KDM2B (0.50) SMN1; SMN2MAPTHTTKMT2A
SCHEMBL1587826 0.80 CHRNA3 (0.52) CHRNA7ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL1587673 0.80 GAA (0.59) CHRNA7ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2294915 0.78 CHRNA7 (0.46) CHRNA7ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL2294912 0.78 CHRNA7 (0.46) CHRNA7ALDH1A1POLBSMN1; SMN2NPC1

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 CHRNA7 130/4885ALDH1A1 354/4885POLB 1835/4885

“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.