SCHEMBL3326205

SCHEMBL3326205

Nc1ccccc1-c1ccc(C(=O)N2CCN3CCC2CC3)o1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
SLC9A1 P19634 1/20 0.47
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
HTR3A P46098 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PDE4B Q07343 2/20 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
SCHEMBL3326017 0.84 CHRNA7 (0.46) CHRNA7SLC9A1RAB9ANPC1PDE4B
SCHEMBL373086 0.83 CHRNA7 (0.58) CHRNA7RAB9ANPC1HTR3APDE4B
Hydrochloric Acid SCHEMBL3359320 0.82 ALDH1A1 (0.49) CHRNA7SLC9A1RAB9ANPC1PDE4B
SCHEMBL3327833 0.82 PDE4B (0.60) CHRNA7SLC9A1RAB9ANPC1PDE4B
SCHEMBL3330426 0.81 KDM4E (0.50) CHRNA7RAB9ANPC1HTR3ACASP3
Hydrochloric Acid SCHEMBL3326199 0.81 PDE4B (0.59) CHRNA7SLC9A1RAB9ANPC1PDE4B
SCHEMBL3326252 0.81 CHRNA7 (0.52) CHRNA7RAB9ANPC1PDE4B
SCHEMBL3326108 0.79 CHRNA7 (0.51) CHRNA7PDE4B
SCHEMBL4700316 0.78 CHRNA7 (0.70) CHRNA7RAB9ANPC1HTR3A
SCHEMBL3859223 0.78 CHRNA7 (0.45) CHRNA7RAB9ANPC1HTR3ACASP3

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
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 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
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 6/4885SLC9A1 3488/4885RAB9A 3330/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 CHRNA7 6/4885SLC9A1 3488/4885RAB9A 3330/4885

“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.