SCHEMBL5832229

SCHEMBL5832229

CN1C2CCC1CN(c1ccc(-c3cccc([N+](=O)[O-])c3)nc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
CHRNB2 P17787 2/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40

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
SCHEMBL927479 0.82 CHRNB2 (0.65) METCHRNB2NPC1RAB9ACHRNA7
SCHEMBL5833130 0.80 ALDH1A1 (0.49) CHRNB2CHRNA7CHRNA4
SCHEMBL5832819 0.78 PDE4D (0.49) METCHRNB2CHRNB1CHRNB4CHRNA3
SCHEMBL5832239 0.78 CHRNA7 (0.57) CHRNB2CHRNA7CHRNA4
SCHEMBL5832442 0.77 MEN1 (0.57) MAPT
SCHEMBL1792191 0.75 CHRNB2 (0.52) METCHRNB2RAB9ACHRNA7CHRNA4
SCHEMBL6210726 0.74 CHRNB2 (0.40) CHRNB2NPC1RAB9ACHRNA7CHRNA4
SCHEMBL5832065 0.73 HRH4 (0.47) CHRNB2CHRNA7CHRNA4
SCHEMBL5832709 0.72 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4MAPT
SCHEMBL27494524 0.71 NPC1 (0.44) METCHRNB2NPC1RAB9ACHRNA7

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
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 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 (1 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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 MET 3044/4885CHRNB2 6/4885CHRNB1 14/4885

“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.