SCHEMBL1782288

SCHEMBL1782288

O=[N+]([O-])c1cnc(N2CCN3CCC2C3)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.35
ALOX12 P18054 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FURIN P09958 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SGPL1 O95470 1/20 0.32
NPY2R P49146 1/20 0.32

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
SCHEMBL244511 0.91 MAPT (0.40) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL1782928 0.77 FURIN (0.35) FURIN
SCHEMBL30912534 0.77 POLB (0.46) MAPTALDH1A1ALOX12LMNAHTT
SCHEMBL30912409 0.77 POLB (0.46) MAPTALDH1A1ALOX12LMNAHTT
SCHEMBL30912466 0.77 POLB (0.46) MAPTALDH1A1ALOX12LMNAHTT
SCHEMBL3242803 0.73 MAPT (0.56) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL26151977 0.73 MAPT (0.48) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL2791422 0.68 MAPT (0.46) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL13442070 0.68 MAPT (0.59) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL2790851 0.68 MAPT (0.46) MAPTALDH1A1ALOX12LMNANPSR1

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-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 US disclosed
EP-2262810-A2 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2010-12-22 EP disclosed
WO-2009112462-A2 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2009-09-17 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-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA6, CHRNA2, CHRNA10 MAPT 1095/4885ALDH1A1 760/4885ALOX12 584/4885

“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.