SCHEMBL5832783

SCHEMBL5832783

CN1C2CCC1CN(c1ccc(Oc3ccncc3)nc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
ACACB O00763 6/20 0.40
BRAF P15056 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ACVR1 Q04771 1/20 0.35

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
SCHEMBL5832192 0.95 HRH3 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5832866 0.89 ACACB (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5832692 0.87 ACACB (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5832964 0.85 ACACB (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5832936 0.83 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5832304 0.83 HRH3 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5833319 0.79 HRH3 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5832791 0.76 ACVR1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ACACB
SCHEMBL5832235 0.76 CHRNB4 (0.43) CHRNB4CHRNA3
SCHEMBL6625195 0.74 DPP4 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ACVR1

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 CHRNB2 6/4885CHRNB4 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.