SCHEMBL4700611

SCHEMBL4700611

O=C(c1cccc(-c2cccnc2)c1)N1CCN2CCC1CC2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.52
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
GHSR Q92847 1/20 0.45
CYP11B2 P19099 3/20 0.44
CYP11B1 P15538 2/20 0.44
CHRNA7 P36544 1/20 0.44
SMO Q99835 2/20 0.43
PKM P14618 1/20 0.43
ROCK2 O75116 1/20 0.42

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
SCHEMBL4700225 0.88 CHRNA7 (0.46) GHSRCHRNA7
SCHEMBL4701174 0.88 MKNK1 (0.55) ABL1BCRGHSRCYP11B2CHRNA7
SCHEMBL4700365 0.85 CHRNA7 (0.51) CHRNA7
SCHEMBL4703053 0.83 DYRK1A (0.43) CHRNA7SMO
SCHEMBL4704002 0.83 CHRNA7 (0.47) GHSRCHRNA7SMO
SCHEMBL4700028 0.82 GHSR (0.46) ABL1BCRGHSRCHRNA7
SCHEMBL4700233 0.81 BRAF (0.44) CYP11B2CYP11B1CHRNA7
SCHEMBL4705416 0.81 CHRNA7 (0.53) CYP11B2CYP11B1CHRNA7
SCHEMBL5747273 0.81 CHRNA7 (0.60) CHRNA7
SCHEMBL4700378 0.79 DRD2 (0.45) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP claimed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US claimed
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 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-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists CHRNA1, CHRNB1, CHRNA2 KMO 1691/4885ABL1 3065/4885BCR 2646/4885

“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.