SCHEMBL3246098

SCHEMBL3246098

Nc1ccc(C(=O)Nc2ccc(N3CCN4CCC3CC4)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KCNQ3 O43525 3/20 0.46
KCNQ2 O43526 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
STAT3 P40763 1/20 0.44
HDAC1 Q13547 3/20 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 SCHEMBL3252642 0.99 KCNH2 (0.46) KCNH2MCHR1RAB9AL3MBTL1MAPT
SCHEMBL3246091 0.89 KCNH2 (0.51) KCNH2MCHR1RAB9AL3MBTL1MAPT
SCHEMBL3252125 0.88 RAB9A (0.48) KCNH2MCHR1RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3252683 0.88 KCNH2 (0.50) KCNH2MCHR1RAB9AL3MBTL1MAPT
SCHEMBL3252070 0.87 ULK1 (0.47) RAB9AMAPTKCNQ3KCNQ2DGAT1
Hydrochloric Acid SCHEMBL3252697 0.86 ULK1 (0.46) RAB9AMAPTKCNQ3KCNQ2DGAT1
SCHEMBL3247180 0.86 FASN (0.49) KCNH2MCHR1RAB9AL3MBTL1MAPT
SCHEMBL3250573 0.85 CYP11B1 (0.47) KCNH2MCHR1RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3252146 0.85 FASN (0.48) KCNH2MCHR1RAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3248768 0.84 CYP11B1 (0.47) KCNH2MCHR1RAB9AL3MBTL1MAPT

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-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
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 KCNH2 655/4885MCHR1 246/4885RAB9A 2916/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 KCNH2 648/4885MCHR1 244/4885RAB9A 2958/4885

“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.