SCHEMBL3240619

SCHEMBL3240619

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MITF O75030 2/20 0.52
POLB P06746 2/20 0.52
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.47
NAMPT P43490 1/20 0.46
LMNA P02545 1/20 0.45

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 SCHEMBL3243945 0.99 MAPT (0.58) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL3247482 0.87 MEN1 (0.62) MAPTKMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL3247595 0.86 MEN1 (0.61) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL3246945 0.84 RAB9A (0.59) KMT2AMEN1RAB9ANPC1MITF
SCHEMBL3250573 0.84 CYP11B1 (0.47) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL2537629 0.84 POLB (0.49) MAPTKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL3248051 0.83 RAB9A (0.57) KMT2AMEN1RAB9ANPC1MITF
SCHEMBL3247945 0.83 KMT2A (0.55) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL3248759 0.83 ALDH1A1 (0.53) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL3242563 0.83 RAB9A (0.56) MAPTKMT2AMEN1RAB9ANPC1

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 9 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-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 MAPT 1442/4885KMT2A 1679/4885MEN1 4320/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 MAPT 1501/4885KMT2A 1691/4885MEN1 4319/4885

“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.