SCHEMBL3250573

SCHEMBL3250573

O=C(Nc1ccc(N2CCN3CCC2CC3)nc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAPT P10636 8/20 0.47
P4HTM Q9NXG6 1/20 0.46
MITF O75030 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNQ3 O43525 1/20 0.43

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 SCHEMBL3248768 0.99 CYP11B1 (0.47) CYP11B1CYP11B2MAPTP4HTMMITF
SCHEMBL3245014 0.88 KMT2A (0.54) MAPTPOLBMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL3249944 0.88 KMT2A (0.53) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL3246098 0.85 KCNH2 (0.47) MAPTP4HTMPOLBMEN1KMT2A
SCHEMBL3246091 0.85 KCNH2 (0.51) MAPTP4HTMKMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL3252642 0.84 KCNH2 (0.46) MAPTP4HTMPOLBMEN1KMT2A
SCHEMBL3252125 0.84 RAB9A (0.48) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL3240619 0.84 MAPT (0.60) MAPTMITFPOLBMAPK1MEN1
Hydrochloric Acid SCHEMBL3252683 0.84 KCNH2 (0.50) MAPTP4HTMKMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL3243945 0.83 MAPT (0.58) MAPTMITFPOLBMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236793-B2 Diazabicyclic aryl derivatives as cholinergic receptor modulators NEUROSEARCH A/S (DK) 2012-08-07 US claimed
US-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS ANIONA APS (DK) 2010-05-06 US claimed
EP-2172469-A1 Diazabicyclic aryl derivatives as cholinergic receptor modulators NeuroSearch A/S (DK) 2010-04-07 EP claimed
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators ANIONA APS (DK) 2008-09-18 US claimed
US-8236793-B2 Diazabicyclic aryl derivatives as cholinergic receptor modulators NEUROSEARCH A/S (DK) 2012-08-07 US disclosed
US-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS ANIONA APS (DK) 2010-05-06 US disclosed
EP-2172469-A1 Diazabicyclic aryl derivatives as cholinergic receptor modulators NeuroSearch A/S (DK) 2010-04-07 EP disclosed
US-7662808-B2 N-[4-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-phenyl]-benzamide; disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse NEUROSEARCH A/S (DK) 2010-02-16 US disclosed
EP-1713487-B1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2009-12-02 EP disclosed
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators ANIONA APS (DK) 2008-09-18 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-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS CHRNA6, CHRNA10, CHRNA2 CYP11B1 1432/4885CYP11B2 1499/4885MAPT 1442/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 CYP11B1 1461/4885CYP11B2 1528/4885MAPT 1501/4885

“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.