SCHEMBL3328026

SCHEMBL3328026

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APAF1 O14727 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3331566 0.88 MMP13 (0.48) CHRNA7SMN1; SMN2MEN1KMT2APOLB
SCHEMBL3393230 0.88 CHRNA7 (0.43) CHRNA7NPC1MAPTSCN5ASCN2A
SCHEMBL3326849 0.85 CHRNA7 (0.45) CHRNA7SMN1; SMN2MEN1KMT2APOLB
Cyclopropane SCHEMBL3837252 0.85 CHRNA7 (0.46) CHRNA7SMN1; SMN2POLBNPC1RAB9A
SCHEMBL3390148 0.84 CHRNA7 (0.48) CHRNA7SMN1; SMN2MEN1KMT2APOLB
SCHEMBL3326221 0.83 CHRNA7 (0.45) CHRNA7SMN1; SMN2MEN1KMT2APOLB
Methane SCHEMBL3325042 0.82 CHRNA7 (0.44) CHRNA7SMN1; SMN2MEN1KMT2APOLB
SCHEMBL3393420 0.82 CHRNA7 (0.46) CHRNA7SMN1; SMN2MEN1KMT2APOLB
SCHEMBL3326905 0.82 PTPN1 (0.55) CHRNA7SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3391378 0.82 CHRNA7 (0.41) CHRNA7SMN1; SMN2POLBNPC1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP claimed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US claimed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP claimed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 WO claimed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 CHRNA7 6/4885SMN1; SMN2 305/4885MEN1 4000/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 CHRNA7 6/4885SMN1; SMN2 305/4885MEN1 4000/4885

“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.