SCHEMBL3393545

SCHEMBL3393545

O=C(Nc1ccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)cc1)Nc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
CHRNA7 P36544 2/20 0.43
PDE4B Q07343 2/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
PDE4D Q08499 1/20 0.42
POLB P06746 3/20 0.42
PTPN1 P18031 1/20 0.41
MTOR P42345 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3390148 0.89 CHRNA7 (0.48) DGAT1CHRNA7PDE4BKMT2AMEN1
SCHEMBL3390921 0.88 CHRNA7 (0.54) DGAT1CHRNA7KMT2AMEN1RAB9A
SCHEMBL3391064 0.87 CHRNA7 (0.46) CHRNA7PDE4BMAPTALDH1A1HPGD
SCHEMBL3388395 0.85 NPC1 (0.46) CHRNA7PDE4BKMT2AMEN1NPC1
SCHEMBL3393420 0.82 CHRNA7 (0.46) CHRNA7PDE4BKMT2AMEN1NPC1
SCHEMBL3393090 0.81 NPC1 (0.48) DGAT1CHRNA7PDE4BKMT2AMEN1
SCHEMBL3388415 0.81 PDE5A (0.43) DGAT1CHRNA7PDE4BKMT2AMEN1
SCHEMBL3390544 0.81 ABCB1 (0.44) CHRNA7PDE4BNPC1RAB9AMAPT
SCHEMBL3391632 0.81 HPGD (0.47) CHRNA7KMT2AMEN1NPC1RAB9A
SCHEMBL3331566 0.81 MMP13 (0.48) CHRNA7KMT2AMEN1NPC1MAPT

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
EP-1713810-B1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-12-29 EP claimed
US-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PETERS DAN 2010-05-27 US claimed
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 US claimed
EP-1713810-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2006-10-25 EP claimed
WO-2005075482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-08-18 WO claimed
EP-1713810-B1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PETERS DAN 2010-05-27 US disclosed
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 US disclosed
EP-1713810-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2006-10-25 EP disclosed
WO-2005075482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-08-18 WO 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-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA6, CHRNA10, CHRNA2 DGAT1 1693/4885CHRNA7 5/4885PDE4B 304/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 DGAT1 1693/4885CHRNA7 5/4885PDE4B 304/4885

“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.