SCHEMBL4030339

SCHEMBL4030339

O=C(C=Cc1ccsc1)N1CCN2CCC1CC2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.41
CHRNA7 P36544 4/20 0.40
HTR3A P46098 1/20 0.40
CHRNA3 P32297 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL372772 0.81 CHRNA7 (0.54) CHRNA7HTR3ACHRNA3
SCHEMBL4029530 0.77 ALDH1A1 (0.55) CHRNA7HTR3A
SCHEMBL13887190 0.77 ALDH1A1 (0.55) CHRNA7HTR3A
SCHEMBL4031691 0.76 HCAR2 (0.48) CHRNA7HTR3ACHRNA3
SCHEMBL5259817 0.72 HRH3 (0.68)
SCHEMBL14409587 0.72 HRH3 (0.68)
SCHEMBL13887191 0.71 CHRNA7 (0.46) CHRNA7HTR3ACHRNA3
SCHEMBL4029838 0.71 CHRNA7 (0.46) CHRNA7HTR3ACHRNA3
SCHEMBL4027798 0.71 CHRNA7 (0.58) CHRNA7
SCHEMBL13887379 0.71 CHRNA7 (0.58) CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US claimed
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 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-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists CHRNA7, CHRNB1, CHRNA1 GUSB 3076/4885CHRNA7 1/4885HTR3A 202/4885

“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.