SCHEMBL6364902

SCHEMBL6364902

O=C(c1ccccc1Sc1ccncc1)N1CCN2CCC1CC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.44
HTR3A P46098 1/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA3 P32297 2/20 0.39
SIRT1 Q96EB6 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6370221 0.82 CHRNA7 (0.43) CHRNA7HTR3ALMNACHRNA3
SCHEMBL6364910 0.73 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL4705060 0.73 CHRNA7 (0.48) CHRNA7HTR3A
SCHEMBL3984845 0.71 L3MBTL1 (0.55) CHRNA7HTR3ASMN1; SMN2CHRNA3
SCHEMBL4700225 0.71 CHRNA7 (0.46) CHRNA7HTR3ACHRNA3
SCHEMBL7695938 0.69 SIRT1 (0.74) SIRT1
SCHEMBL4030570 0.69 CHRNA7 (0.60) CHRNA7HTR3ACHRNA3
SCHEMBL4701573 0.68 HDAC3 (0.48) CHRNA7HTR3A
SCHEMBL4702386 0.68 CHRNA7 (0.52) CHRNA7HTR3A
SCHEMBL4703177 0.68 CHRNA7 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 162/4885LMNA 3751/4885

“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.