SCHEMBL4048359

SCHEMBL4048359

CC(=O)Nc1cccc(-c2ccc(C(=O)N3CC4CCC(C3)N4C)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.54
PDE5A O76074 1/20 0.43
RAC1 P63000 1/20 0.42
CHRNA4 P43681 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
GRIA2 P42262 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGIR P43119 1/20 0.40
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
PDE4B Q07343 2/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL4046578 0.87 MMP13 (0.51) CHRNA4RAB9ASMN1; SMN2NPC1
SCHEMBL3450856 0.83 MMP13 (0.52) CHRNA4RAB9ASMN1; SMN2NPC1
SCHEMBL4048304 0.83 RAB9A (0.43) RAB9ANPC1PDE4BCHRNA7
SCHEMBL4047832 0.80 CHRNA7 (0.61) SMN1; SMN2CHRNA7
SCHEMBL3327886 0.78 NQO2 (0.53) NQO2PDE5ARAC1RAB9ASMN1; SMN2
SCHEMBL6264880 0.76 NQO2 (0.76) NQO2RAC1RAB9ASMN1; SMN2NPC1
SCHEMBL4050262 0.75 RAB9A (0.52) RAB9ASMN1; SMN2NPC1PDE4B
SCHEMBL5606200 0.75 NQO2 (0.70) NQO2RAC1RAB9ASMN1; SMN2NPC1
SCHEMBL4047306 0.74 RAB9A (0.44) RAB9ANPC1
SCHEMBL4198288 0.73 ALDH1A1 (0.59) NQO2CHRNA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612074-B2 Diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH A/S (DK) 2009-11-03 US claimed
EP-1819709-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH AS (DK) 2009-02-11 EP claimed
US-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands NEUROSEARCH A/S (DK) 2007-11-15 US claimed
US-7612074-B2 Diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH A/S (DK) 2009-11-03 US disclosed
EP-1819709-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH AS (DK) 2009-02-11 EP disclosed
US-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands NEUROSEARCH A/S (DK) 2007-11-15 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 (1 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-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands CHRNA6, CHRNA10, CHRNA2 NQO2 2173/4885PDE5A 494/4885RAC1 2686/4885

“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.