SCHEMBL5832709

SCHEMBL5832709

Cc1ccccc1-c1ccc(N2CCC3CCC(C2)N3C)cn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
MAP4K1 Q92918 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP11B2 P19099 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CNR2 P34972 1/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PTK2B Q14289 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL5832188 0.85 MAP4K1 (0.40) CHRNB2CHRNA7CHRNA4MAP4K1CYP1A2
SCHEMBL5832688 0.80 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4ALDH1A1LMNA
SCHEMBL5832239 0.79 CHRNA7 (0.57) CHRNB2CHRNA7CHRNA4HRH3
SCHEMBL5833130 0.77 ALDH1A1 (0.49) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL27494524 0.77 NPC1 (0.44) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL927924 0.77 CHRNA7 (0.69) CHRNB2CHRNA7CHRNA4MAP4K1CYP1A2
SCHEMBL5832693 0.75 KDM1A (0.47) CYP11B2
SCHEMBL5041409 0.75 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL6626133 0.75 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4MAPT
SCHEMBL5832405 0.75 CHRNB2 (0.49) CHRNB2CHRNA4

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 5 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
CN-1185233-C Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2005-01-19 CN disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
CN-1440411-A Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2003-09-03 CN 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 6/4885CHRNA7 1/4885CHRNA4 9/4885

“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.