SCHEMBL4701007

SCHEMBL4701007

O=C(c1ccc(-c2cccnc2)o1)N1CCN2CCC1CC2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.51
BRAF P15056 3/20 0.46
KCNH2 Q12809 2/20 0.46
PDE5A O76074 2/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SCD O00767 2/20 0.41
SCD5 Q86SK9 1/20 0.41
CYP2E1 P05181 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2A6 P11509 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
SCHEMBL4702386 0.86 CHRNA7 (0.52) CHRNA7PDE5A
SCHEMBL373086 0.86 CHRNA7 (0.58) CHRNA7
SCHEMBL4705416 0.81 CHRNA7 (0.53) CHRNA7CHRNA4SCDSCD5CYP2C9
SCHEMBL4704002 0.81 CHRNA7 (0.47) CHRNA7KCNH2SCDSCD5CYP2C9
SCHEMBL3326108 0.80 CHRNA7 (0.51) CHRNA7PDE5A
SCHEMBL5416480 0.79 PDE4B (0.51) CHRNA7
SCHEMBL4701174 0.79 MKNK1 (0.55) CHRNA7
SCHEMBL3326252 0.79 CHRNA7 (0.52) CHRNA7PDE5A
SCHEMBL3325793 0.79 SCN5A (0.58) CHRNA7
SCHEMBL4705145 0.78 CHRNA7 (0.52) CHRNA7PDE5ACHRNB2CHRNA4SCD5

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 CHRNA7 6/4885BRAF 4304/4885KCNH2 724/4885

“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.