SCHEMBL4700233

SCHEMBL4700233

O=C(c1cc(-c2cccnc2)cs1)N1CCN2CCC1CC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
DYRK1B Q9Y463 5/20 0.43
DYRK1A Q13627 4/20 0.43
CLK1 P49759 1/20 0.43
HASPIN Q8TF76 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNA7 P36544 1/20 0.42
SCD O00767 1/20 0.41
CYP11B2 P19099 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP11B1 P15538 1/20 0.39
DYRK2 Q92630 1/20 0.38

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
SCHEMBL4703177 0.87 CHRNA7 (0.43) CHRNA7SCD
SCHEMBL4702524 0.86 CHRNA7 (0.48) CHRNA7
SCHEMBL4703053 0.82 DYRK1A (0.43) DYRK1BDYRK1ACLK1HASPINCHRNA7
SCHEMBL373015 0.82 MKNK1 (0.56) BRAFCHRNB2CHRNA4CHRNA7CYP2C9
SCHEMBL4700611 0.81 KMO (0.52) CHRNA7CYP11B2CYP11B1
SCHEMBL4701174 0.80 MKNK1 (0.55) CHRNA7CYP11B2
SCHEMBL4701391 0.80 CHRNA7 (0.42) CHRNA7CYP2C9
SCHEMBL4702396 0.79 CHRNA7 (0.42) CHRNA7
SCHEMBL4702987 0.78 CHRNA7 (0.44) CHRNA7
SCHEMBL4704002 0.78 CHRNA7 (0.47) CHRNA7SCDCYP2C9

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 BRAF 4304/4885DYRK1B 823/4885DYRK1A 662/4885

“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.