SCHEMBL3393420

SCHEMBL3393420

O=C(c1ccc(-c2ccc(NC(=S)Nc3ccccc3)cc2)o1)N1CCN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.46
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
PDE4B Q07343 2/20 0.41
PKM P14618 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 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
SCHEMBL3390148 0.92 CHRNA7 (0.48) CHRNA7PTPN1PTPN11MAPTKDM4E
SCHEMBL3326905 0.88 PTPN1 (0.55) CHRNA7PTPN1PTPN11MAPTKDM4E
Cyclopropane SCHEMBL3837252 0.86 CHRNA7 (0.46) CHRNA7PTPN1PTPN11MAPTSMN1; SMN2
SCHEMBL373086 0.86 CHRNA7 (0.58) CHRNA7MAPTMAPK1SMN1; SMN2PDE4B
SCHEMBL3391632 0.85 HPGD (0.47) CHRNA7PTPN1MAPTKDM4ESMN1; SMN2
SCHEMBL3331566 0.85 MMP13 (0.48) CHRNA7PTPN1MAPTMAPK1SMN1; SMN2
SCHEMBL3391064 0.83 CHRNA7 (0.46) CHRNA7MAPTKDM4EPDE4BPKM
SCHEMBL3328026 0.82 CHRNA7 (0.45) CHRNA7MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL3326849 0.82 CHRNA7 (0.45) CHRNA7PTPN1MAPTKDM4EMAPK1
SCHEMBL3326221 0.82 CHRNA7 (0.45) CHRNA7PTPN1MAPTMAPK1SMN1; SMN2

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 3 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 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

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 CHRNA7 5/4885PTPN1 1479/4885PTPN11 1384/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 CHRNA7 5/4885PTPN1 1479/4885PTPN11 1384/4885

“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.