SCHEMBL3246091

SCHEMBL3246091

O=C(Nc1ccc(N2CCN3CCC2CC3)nc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
MCHR1 Q99705 1/20 0.51
KCNQ3 O43525 2/20 0.49
KCNQ2 O43526 2/20 0.49
P4HTM Q9NXG6 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 2/20 0.48
DGAT1 O75907 4/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
SOAT1 P35610 1/20 0.46
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 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 SCHEMBL3252683 0.99 KCNH2 (0.50) KCNH2MCHR1KCNQ3KCNQ2P4HTM
SCHEMBL3246098 0.89 KCNH2 (0.47) KCNH2MCHR1KCNQ3KCNQ2P4HTM
SCHEMBL3252125 0.88 RAB9A (0.48) KCNH2MCHR1KCNQ3KCNQ2RAB9A
Hydrochloric Acid SCHEMBL3252642 0.88 KCNH2 (0.46) KCNH2MCHR1KCNQ3KCNQ2P4HTM
SCHEMBL4085694 0.87 KCNQ3 (0.57) KCNQ3KCNQ2RAB9ANPC1KMT2A
SCHEMBL3252070 0.87 ULK1 (0.47) KCNQ3KCNQ2RAB9ANPC1DGAT1
SCHEMBL3249677 0.87 KDM4E (0.46) KCNH2MCHR1RAB9ANPC1DGAT1
Hydrochloric Acid SCHEMBL3252697 0.86 ULK1 (0.46) KCNQ3KCNQ2RAB9ANPC1DGAT1
Hydrochloric Acid SCHEMBL3249770 0.86 KDM4E (0.45) KCNH2MCHR1RAB9ANPC1DGAT1
SCHEMBL3247180 0.86 FASN (0.49) KCNH2MCHR1KCNQ3KCNQ2RAB9A

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 13 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
EP-1713487-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2006-10-25 EP claimed
WO-2005074940-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2005-08-18 WO 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
EP-1713487-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2006-10-25 EP disclosed
WO-2005074940-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2005-08-18 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 (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 246/4885KCNQ3 719/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 KCNH2 648/4885MCHR1 244/4885KCNQ3 724/4885

“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.