SCHEMBL3393090

SCHEMBL3393090

O=C(Nc1ccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)cc1)Nc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
DGAT1 O75907 1/20 0.45
CHRNA7 P36544 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL3390148 0.89 CHRNA7 (0.48) NPC1RAB9ASMN1; SMN2TP53DGAT1
SCHEMBL3388415 0.89 PDE5A (0.43) NPC1RAB9ASMN1; SMN2TP53DGAT1
SCHEMBL3388395 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2CHRNA7MEN1
SCHEMBL3390544 0.89 ABCB1 (0.44) NPC1RAB9ATP53CHRNA7MAPT
SCHEMBL3391378 0.86 CHRNA7 (0.41) NPC1RAB9ASMN1; SMN2TP53CHRNA7
SCHEMBL3390591 0.86 DGAT1 (0.47) NPC1RAB9ATP53DGAT1CHRNA7
SCHEMBL3389457 0.86 ABCG2 (0.47) NPC1RAB9ASMN1; SMN2CHRNA7MEN1
SCHEMBL3391632 0.83 HPGD (0.47) NPC1RAB9ASMN1; SMN2TP53CHRNA7
SCHEMBL3393550 0.83 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL3393420 0.82 CHRNA7 (0.46) NPC1RAB9ASMN1; SMN2CHRNA7MEN1

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 NPC1 2584/4885RAB9A 3364/4885SMN1; SMN2 364/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 NPC1 2584/4885RAB9A 3364/4885SMN1; SMN2 364/4885

“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.