SCHEMBL3326017

SCHEMBL3326017

Cc1ccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.46
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA3 P32297 1/20 0.37
SLC9A1 P19634 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
UGCG Q16739 2/20 0.36

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
SCHEMBL3326205 0.84 CHRNA7 (0.53) CHRNA7SLC9A1NPC1RAB9APDE4B
SCHEMBL3326891 0.83 PDE7A (0.48) CHRNA7MEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL3329155 0.83 PDE7A (0.48) CHRNA7MEN1ALDH1A1HPGDKMT2A
SCHEMBL3326252 0.77 CHRNA7 (0.52) CHRNA7NPC1RAB9APDE4BPDE4D
SCHEMBL3326108 0.76 CHRNA7 (0.51) CHRNA7ALDH1A1PDE4B
Chloromethane SCHEMBL3323025 0.76 CHRNA7 (0.48) CHRNA7NPC1RAB9APDE4BPDE4D
SCHEMBL373086 0.74 CHRNA7 (0.58) CHRNA7ALDH1A1HPGDNPC1RAB9A
SCHEMBL7061160 0.74 ALDH1A1 (0.55) CHRNA7MEN1ALDH1A1KMT2A
SCHEMBL3330426 0.73 KDM4E (0.50) CHRNA7ALDH1A1NPC1RAB9APDE4B
SCHEMBL2636644 0.73 ALDH1A1 (0.68) MEN1ALDH1A1HPGDKMT2ASLC9A1

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 7 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
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

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 6/4885MEN1 4000/4885ALDH1A1 846/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 CHRNA7 6/4885MEN1 4000/4885ALDH1A1 846/4885

“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.