SCHEMBL4700995

SCHEMBL4700995

O=C(c1csc(-c2ccccn2)c1)N1CCN2CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.42
HTR3A P46098 2/20 0.40
CHRNA3 P32297 2/20 0.39
TACR3 P29371 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMO Q99835 1/20 0.39
SCD5 Q86SK9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL4700008 0.82 CHRNA7 (0.54) CHRNA7HTR3ACHRNA3HTR3EHTR3B
SCHEMBL4701182 0.81 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3HTR3EHTR3B
SCHEMBL4700028 0.81 GHSR (0.46) CHRNA7HTR3ACHRNA3TACR3CYP2C9
SCHEMBL4700217 0.81 KDM4E (0.56) CHRNA7HTR3AKDM4E
SCHEMBL4702959 0.80 SLC6A7 (0.54) CHRNA7HTR3ATACR3SMO
SCHEMBL4703053 0.80 DYRK1A (0.43) CHRNA7HTR3ACYP2C9SMOHTR3E
SCHEMBL4701391 0.80 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3CYP2C9SCD5
SCHEMBL4700021 0.79 CHRNA7 (0.45) CHRNA7HTR3ACHRNA3HTR3EHTR3B
SCHEMBL4703331 0.79 CHRNA7 (0.48) CHRNA7HTR3ACHRNA3TACR3CYP2C9
SCHEMBL3984845 0.77 L3MBTL1 (0.55) 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 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 CHRNA7 6/4885HTR3A 162/4885CHRNA3 8/4885

“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.