SCHEMBL3248759

SCHEMBL3248759

CC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCN4CCC3CC4)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
MAPT P10636 8/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MCL1 Q07820 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46

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
SCHEMBL3246945 0.89 RAB9A (0.59) POLBATMRAB9ANPC1KMT2A
SCHEMBL3247457 0.89 SMYD3 (0.47) ALDH1A1POLBCACNA1BAPBA1MAPT
SCHEMBL3247945 0.88 KMT2A (0.55) ALDH1A1POLBMAPTATMRAB9A
Hydrochloric Acid SCHEMBL3248051 0.88 RAB9A (0.57) POLBATMRAB9ANPC1KMT2A
SCHEMBL3242563 0.87 RAB9A (0.56) POLBMAPTRAB9ANPC1KMT2A
SCHEMBL3252139 0.87 RAB9A (0.61) ALDH1A1HPGDMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL3247483 0.86 KMT2A (0.54) POLBMAPTRAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL3245119 0.86 RAB9A (0.54) POLBMAPTRAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL3243529 0.86 RAB9A (0.60) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL3248427 0.84 DPP4 (0.54) MAPTRAB9ANPC1KMT2AMEN1

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-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-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 ALDH1A1 917/4885HPGD 1338/4885POLB 3527/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 ALDH1A1 932/4885HPGD 1356/4885POLB 3510/4885

“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.