SCHEMBL2534485

SCHEMBL2534485

O=C(Nc1ccc(N2CCN3CCC2CC3)cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
POLB P06746 1/20 0.55
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 2/20 0.51
THRB P10828 1/20 0.51
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
MDM2 Q00987 1/20 0.48
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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 SCHEMBL3248224 0.99 MEN1 (0.64) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL246223 0.84 MEN1 (0.51) MEN1KMT2APOLBGAASMN1; SMN2
Hydrochloric Acid SCHEMBL244529 0.83 MEN1 (0.50) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL3254110 0.82 NPC1 (0.63) MEN1KMT2APOLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3248060 0.81 NPC1 (0.62) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL2532565 0.81 PTGS1 (0.49) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL3240619 0.81 MAPT (0.60) MEN1KMT2APOLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3249691 0.81 PTGS1 (0.48) MEN1KMT2AGAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3243945 0.80 MAPT (0.58) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL3242563 0.80 RAB9A (0.56) MEN1KMT2APOLBSMN1; SMN2HTT

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 12 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-1713487-B1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2009-12-02 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-20110257161-A1 NOVEL DIAZA-BICYCLONONYL-PHENYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-10-20 US disclosed
WO-2010063784-A1 NOVEL DIAZA-BICYCLONONYL-PHENYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-06-10 WO 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 (3 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 MEN1 4320/4885KMT2A 1679/4885POLB 3527/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 MEN1 4319/4885KMT2A 1691/4885POLB 3510/4885
US-20110257161-A1 NOVEL DIAZA-BICYCLONONYL-PHENYL DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA10 MEN1 4078/4885KMT2A 2721/4885POLB 2477/4885

“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.