SCHEMBL3248722

SCHEMBL3248722

Nc1cccc(C(=O)Nc2ccc(N3CCN4CCC3CC4)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.50
ULK1 O75385 1/20 0.46
CNR1 P21554 1/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
KDM1A O60341 2/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
PKM P14618 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
QSOX1 O00391 1/20 0.42
HDAC3 O15379 1/20 0.42

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 SCHEMBL3250408 0.99 PTGS1 (0.49) PTGS1ULK1CNR1SMN1; SMN2NPC1
SCHEMBL3248661 0.86 NPC1 (0.62) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL3247945 0.86 KMT2A (0.55) PTGS1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3242563 0.86 RAB9A (0.56) SMN1; SMN2NPC1RAB9ATP53MAPT
Hydrochloric Acid SCHEMBL3249774 0.85 NPC1 (0.61) SMN1; SMN2NPC1RAB9ATP53MAPT
Hydrochloric Acid SCHEMBL3247483 0.85 KMT2A (0.54) PTGS1SMN1; SMN2NPC1RAB9ATP53
Hydrochloric Acid SCHEMBL3245119 0.84 RAB9A (0.54) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL3247457 0.84 SMYD3 (0.47) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL3252070 0.84 ULK1 (0.47) PTGS1ULK1CNR1NPC1RAB9A
SCHEMBL3248601 0.84 NPC1 (0.64) SMN1; SMN2NPC1RAB9ATP53MAPT

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 PTGS1 1706/4885ULK1 3133/4885CNR1 24/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 PTGS1 1694/4885ULK1 3151/4885CNR1 24/4885

“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.