SCHEMBL5832692

SCHEMBL5832692

CN1C2CCC1CN(c1ccc(Oc3cccnc3)nc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNB3 Q05901 1/20 0.40
LTA4H P09960 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL5832304 0.96 HRH3 (0.42) ACACBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5832866 0.89 ACACB (0.49) ACACBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5832783 0.87 CHRNB2 (0.40) ACACBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5832964 0.84 ACACB (0.48) ACACBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5832192 0.83 HRH3 (0.41) ACACBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5832936 0.83 CHRNB2 (0.40) ACACBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5375837 0.80 CHRNB2 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL5833319 0.79 HRH3 (0.42) ACACBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5833130 0.78 ALDH1A1 (0.49) CHRNB2CHRNA4CHRNA7
SCHEMBL5832447 0.76 CHRNB2 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US claimed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP claimed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO claimed
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
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP disclosed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 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 (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 ACACB 1014/4885CHRNB4 11/4885CHRNA3 4/4885

“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.