SCHEMBL4700028

SCHEMBL4700028

O=C(c1cccc(-c2ccccn2)c1)N1CCN2CCC1CC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
CHRNA7 P36544 2/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
SLC6A7 Q99884 2/20 0.44
HTR3A P46098 1/20 0.43
SCN9A Q15858 1/20 0.43
CHRNA3 P32297 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
CYP2C9 P11712 1/20 0.41
TACR3 P29371 1/20 0.41

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
SCHEMBL4702959 0.89 SLC6A7 (0.54) GHSRCHRNA7ABL1BCRSLC6A7
SCHEMBL4700365 0.86 CHRNA7 (0.51) CHRNA7SLC6A7HTR3ACHRNA3
SCHEMBL4700225 0.84 CHRNA7 (0.46) GHSRCHRNA7SLC6A7HTR3ACHRNA3
SCHEMBL4703331 0.82 CHRNA7 (0.48) CHRNA7HTR3ACHRNA3CYP2C9TACR3
SCHEMBL4700611 0.82 KMO (0.52) GHSRCHRNA7ABL1BCR
SCHEMBL4701391 0.81 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3CYP2C9
SCHEMBL4700995 0.81 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3CYP2C9TACR3
SCHEMBL4703023 0.81 CHRNA7 (0.53) CHRNA7HTR3ACHRNA3CYP2C9
SCHEMBL5416390 0.79 FAAH (0.47) GHSRCHRNA7SLC6A7HTR3A
SCHEMBL4030570 0.78 CHRNA7 (0.60) 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-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016617-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2004-02-26 WO 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 GHSR 219/4885CHRNA7 6/4885ABL1 3065/4885

“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.