SCHEMBL4701573

SCHEMBL4701573

O=C(c1ccc(-c2ccncc2)s1)N1CCN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CHRNA7 P36544 7/20 0.43
HTR3A P46098 5/20 0.40
HTR3E A5X5Y0 4/20 0.40
HTR3B O95264 4/20 0.40
HTR3D Q70Z44 4/20 0.40
HTR3C Q8WXA8 4/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MAPK13 O15264 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
SCHEMBL4700617 0.87 CHRNA7 (0.52) HDAC1HDAC6CHRNA7HTR3AHTR3E
SCHEMBL373015 0.87 MKNK1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4700154 0.84 ESRRG (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4700217 0.81 KDM4E (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4703034 0.81 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5425952 0.80 MKNK1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4701453 0.80 ALDH1A1 (0.56) HDAC1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL4703177 0.80 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL5419946 0.80 CHRNA7 (0.56) HDAC1HDAC6CHRNA7HTR3AHTR3E
SCHEMBL4701182 0.79 CHRNA7 (0.42) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 HDAC3 1358/4885HDAC4 2774/4885HDAC1 1453/4885

“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.