SCHEMBL3326650

SCHEMBL3326650

O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCC1CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 5/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
POLB P06746 1/20 0.57
PDE4B Q07343 4/20 0.56
PDE4D Q08499 3/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.51
CHRNA7 P36544 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.46
PDE5A O76074 1/20 0.46
MAPK1 P28482 1/20 0.44
UTS2R Q9UKP6 1/20 0.44

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 SCHEMBL3327527 0.99 ALDH1A1 (0.60) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL3614242 0.89 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL3616499 0.89 ALDH1A1 (0.54) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL3327901 0.87 PDE4B (0.60) ALDH1A1MAPTRAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL3322746 0.86 PDE4B (0.59) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL3326252 0.83 CHRNA7 (0.52) MAPTRAB9ANPC1SMN1; SMN2PDE4B
SCHEMBL3325793 0.83 SCN5A (0.58) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL373086 0.83 CHRNA7 (0.58) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3612795 0.82 MEN1 (0.51) ALDH1A1MAPTRAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL3328099 0.82 SCN5A (0.57) ALDH1A1MAPTRAB9ANPC1SMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US claimed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP claimed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US claimed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP claimed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 WO claimed
EP-1713810-B1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PETERS DAN 2010-05-27 US disclosed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 US disclosed
EP-1713810-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2006-10-25 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2005075482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-08-18 WO disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 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 (4 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 ALDH1A1 846/4885MAPT 1607/4885RAB9A 3330/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 ALDH1A1 846/4885MAPT 1607/4885RAB9A 3330/4885
US-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA6, CHRNA10, CHRNA2 ALDH1A1 1094/4885MAPT 1825/4885RAB9A 3364/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 ALDH1A1 1094/4885MAPT 1825/4885RAB9A 3364/4885

“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.