SCHEMBL4700378

SCHEMBL4700378

O=C(c1cccc(-c2ccsc2)c1)N1CCN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
CHRNA7 P36544 3/20 0.44
KAT6A Q92794 1/20 0.41
HTR3A P46098 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL4701749 0.85 CHRNA7 (0.45) DRD2DRD4CHRNA7HTR3A
SCHEMBL4700365 0.85 CHRNA7 (0.51) CHRNA7HTR3ACHRNA3
SCHEMBL4700225 0.83 CHRNA7 (0.46) CHRNA7HTR3ACHRNA3
SCHEMBL4702400 0.81 ABL1 (0.47) DRD2DRD4CHRNA7KAT6A
SCHEMBL4702385 0.81 CHRNA7 (0.41) CHRNA7HTR3ACHRNA3
SCHEMBL4700170 0.80 CHRNA7 (0.46) CHRNA7HTR3ACHRNA3
SCHEMBL4702396 0.80 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3
SCHEMBL4700611 0.79 KMO (0.52) CHRNA7
SCHEMBL4703810 0.79 CHRNA7 (0.50) CHRNA7HTR3ACHRNA3
SCHEMBL4701806 0.78 CHRNA7 (0.52) CHRNA7HTR3ACHRNA3

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 6 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
EP-1539765-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016617-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2004-02-26 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-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists CHRNA1, CHRNB1, CHRNA2 DRD2 68/4885DRD4 268/4885CHRNA7 6/4885

“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.