SCHEMBL4046578

SCHEMBL4046578

CC(=O)Nc1ccc(-c2ccc(C(=O)N3CC4CCC(C3)N4C)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 3/20 0.46
CHRNA4 P43681 1/20 0.45
SCN5A Q14524 3/20 0.43
SCN2A Q99250 3/20 0.43
SCN10A Q9Y5Y9 3/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
APAF1 O14727 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3450856 0.96 MMP13 (0.52) MMP13MEN1KMT2ARAB9ANPC1
SCHEMBL4048359 0.87 NQO2 (0.54) RAB9ANPC1CHRNA4SMN1; SMN2
SCHEMBL4047306 0.86 RAB9A (0.44) MMP13RAB9ANPC1SCN5ASCN2A
SCHEMBL4050262 0.83 RAB9A (0.52) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL3451181 0.82 SCN5A (0.43) MMP13RAB9ANPC1SCN5ASCN2A
SCHEMBL3453027 0.82 PTPN1 (0.53) MMP13MEN1KMT2ARAB9ANPC1
SCHEMBL4048361 0.81 RAB9A (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3451824 0.79 RAB9A (0.50) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL3451493 0.76 RAB9A (0.71) MEN1KMT2ARAB9ANPC1SCN5A
SCHEMBL3331566 0.76 MMP13 (0.48) MMP13MEN1KMT2ANPC1SCN5A

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 MMP13 2380/4885MEN1 4123/4885KMT2A 1289/4885

“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.