SCHEMBL4700617

SCHEMBL4700617

O=C(c1ccc(-c2ccccc2)s1)N1CCN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.52
HTR3A P46098 5/20 0.52
HTR3E A5X5Y0 4/20 0.52
HTR3B O95264 4/20 0.52
HTR3D Q70Z44 4/20 0.52
HTR3C Q8WXA8 4/20 0.52
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL5419946 0.92 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4701573 0.87 HDAC3 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL373015 0.87 MKNK1 (0.56) CHRNA7HDAC1HDAC6
SCHEMBL4700154 0.84 ESRRG (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4703034 0.83 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4700217 0.83 KDM4E (0.56) CHRNA7HTR3ARAB9AHDAC1KDM4E
SCHEMBL4701453 0.82 ALDH1A1 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4700166 0.80 CHRNA7 (0.60) CHRNA7HTR3ARAB9ANPC1
SCHEMBL5425952 0.80 MKNK1 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4702524 0.78 CHRNA7 (0.48) CHRNA7HTR3AHDAC6

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 5 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
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 6/4885HTR3A 162/4885HTR3E 511/4885

“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.