SCHEMBL3390591

SCHEMBL3390591

O=C(Nc1ccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)cc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.47
DDX3X O00571 4/20 0.42
CHRNA7 P36544 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
CCR3 P51677 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
CSGALNACT1 Q8TDX6 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3388395 0.88 NPC1 (0.46) CHRNA7KDM4EMEN1KMT2ANPC1
SCHEMBL3390148 0.87 CHRNA7 (0.48) DGAT1CHRNA7KDM4EMEN1KMT2A
SCHEMBL3393090 0.86 NPC1 (0.48) DGAT1CHRNA7KDM4EMEN1KMT2A
SCHEMBL3390544 0.86 ABCB1 (0.44) CHRNA7KDM4ENPC1RAB9ACCR3
SCHEMBL3388415 0.86 PDE5A (0.43) DGAT1CHRNA7MEN1KMT2ANPC1
SCHEMBL3391378 0.86 CHRNA7 (0.41) CHRNA7NPC1RAB9APOLBTP53
SCHEMBL3390921 0.84 CHRNA7 (0.54) DGAT1CHRNA7MEN1KMT2ARAB9A
SCHEMBL3389457 0.83 ABCG2 (0.47) CHRNA7MEN1KMT2AALDH1A1NPC1
SCHEMBL3391632 0.83 HPGD (0.47) CHRNA7KDM4EMEN1KMT2AALDH1A1
SCHEMBL3393545 0.81 DGAT1 (0.46) DGAT1CHRNA7KDM4EMEN1KMT2A

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 1693/4885DDX3X 2725/4885CHRNA7 5/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 DGAT1 1693/4885DDX3X 2725/4885CHRNA7 5/4885

“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.