SCHEMBL4701453

SCHEMBL4701453

O=C(c1ccc(-c2cccs2)s1)N1CCN2CCC1CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CHRNA7 P36544 4/20 0.54
HTR3A P46098 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48

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 0.82 CHRNA7 (0.52) ALDH1A1KDM4ENPC1RAB9ACHRNA7
SCHEMBL4702987 0.81 CHRNA7 (0.44) CHRNA7HTR3ALMNAHSD17B10HDAC1
SCHEMBL4701573 0.80 HDAC3 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4700021 0.79 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4700154 0.79 ESRRG (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL373757 0.79 HPGD (0.53) ALDH1A1NPC1RAB9ACHRNA7HTR3A
SCHEMBL4701403 0.79 ABL1 (0.54) CHRNA7
SCHEMBL4700217 0.78 KDM4E (0.56) KDM4ENPC1RAB9ACHRNA7HTR3A
SCHEMBL4700166 0.78 CHRNA7 (0.60) NPC1RAB9ACHRNA7HTR3AL3MBTL1
SCHEMBL373015 0.77 MKNK1 (0.56) CHRNA7HDAC1CHRNB2CHRNA4

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 ALDH1A1 447/4885KDM4E 3603/4885NPC1 1932/4885

“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.