SCHEMBL4700437

SCHEMBL4700437

O=C(c1ccc(-c2ccccc2)cc1)N1CCN2CCC1CC2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.55
HTR3A P46098 1/20 0.55
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HSD11B1 P28845 1/20 0.49
FASN P49327 1/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4030570 0.91 CHRNA7 (0.60) CHRNA7HTR3A
SCHEMBL4700365 0.87 CHRNA7 (0.51) CHRNA7HTR3A
SCHEMBL4705060 0.85 CHRNA7 (0.48) CHRNA7HTR3APOLB
SCHEMBL4701174 0.85 MKNK1 (0.55) CHRNA7
SCHEMBL373302 0.84 CHRNA7 (0.62) CHRNA7HTR3A
SCHEMBL4031149 0.83 CHRNA7 (0.54) CHRNA7HTR3AHSD11B1MEN1KMT2A
SCHEMBL4702959 0.83 SLC6A7 (0.54) CHRNA7HTR3A
SCHEMBL4703322 0.82 CHRNA7 (0.51) CHRNA7HTR3A
SCHEMBL4701749 0.82 CHRNA7 (0.45) CHRNA7HTR3A
SCHEMBL4031884 0.81 CHRNA7 (0.52) 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 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 CHRNA7 6/4885HTR3A 162/4885HPGD 2598/4885

“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.