SCHEMBL3246945

SCHEMBL3246945

O=C(Nc1ccc(N2CCN3CCC2CC3)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HTR1F P30939 5/20 0.55
HTR1A P08908 4/20 0.55
HTR1D P28221 3/20 0.55
HTR1B P28222 3/20 0.55
PTPN1 P18031 1/20 0.52
MITF O75030 1/20 0.51
SNCA P37840 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 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 SCHEMBL3248051 0.99 RAB9A (0.57) RAB9ANPC1TP53ALOX15MAPK1
SCHEMBL3247945 0.89 KMT2A (0.55) RAB9ANPC1TP53ALOX15MAPK1
SCHEMBL3248759 0.89 ALDH1A1 (0.53) RAB9ANPC1TP53ALOX15MAPK1
SCHEMBL3242563 0.88 RAB9A (0.56) RAB9ANPC1TP53HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3247483 0.88 KMT2A (0.54) RAB9ANPC1TP53ALOX15MAPK1
Hydrochloric Acid SCHEMBL3245119 0.87 RAB9A (0.54) RAB9ANPC1TP53HTTSMN1; SMN2
SCHEMBL3248661 0.87 NPC1 (0.62) RAB9ANPC1TP53HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3249774 0.86 NPC1 (0.61) RAB9ANPC1TP53HTTSMN1; SMN2
SCHEMBL3248427 0.85 DPP4 (0.54) RAB9ANPC1TP53ALOX15MAPK1
SCHEMBL3252139 0.85 RAB9A (0.61) RAB9ANPC1TP53ALOX15SMN1; SMN2

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 RAB9A 2916/4885NPC1 1787/4885TP53 4761/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 RAB9A 2958/4885NPC1 1780/4885TP53 4758/4885

“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.