SCHEMBL4701749

SCHEMBL4701749

O=C(c1ccc(-c2ccsc2)cc1)N1CCN2CCC1CC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.45
FFAR2 O15552 1/20 0.43
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
GPR119 Q8TDV5 1/20 0.41
HTR3A P46098 1/20 0.40
CHEK2 O96017 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
SCHEMBL4700378 0.85 DRD2 (0.45) CHRNA7DRD2DRD4HTR3A
SCHEMBL4702385 0.83 CHRNA7 (0.41) CHRNA7HTR3A
SCHEMBL4705060 0.82 CHRNA7 (0.48) CHRNA7HTR3A
SCHEMBL4700437 0.82 CHRNA7 (0.55) CHRNA7HTR3A
SCHEMBL4700170 0.82 CHRNA7 (0.46) CHRNA7HTR3A
SCHEMBL4702396 0.81 CHRNA7 (0.42) CHRNA7HTR3A
SCHEMBL4701806 0.79 CHRNA7 (0.52) CHRNA7HTR3A
SCHEMBL4700154 0.79 ESRRG (0.43) CHRNA7HTR3A
SCHEMBL4701403 0.78 ABL1 (0.54) CHRNA7
SCHEMBL4702534 0.78 CHRNA7 (0.50) CHRNA7HTR3A

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 6/4885FFAR2 109/4885DRD2 68/4885

“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.