SCHEMBL12355565

SCHEMBL12355565

CN1CCC2=C(C1)c1ccccc1C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 8/20 0.73
▸ DRD3 P35462 8/20 0.73
▸ CHRM2 P08172 5/20 0.73
▸ ADRA2A P08913 5/20 0.73
▸ CHRM1 P11229 5/20 0.73
▸ ADRA1A P35348 5/20 0.73
▸ KCNH2 Q12809 5/20 0.73
▸ HTR1A P08908 4/20 0.73
▸ SLC6A2 P23975 4/20 0.73
▸ SLC6A4 P31645 4/20 0.73
▸ SLC6A3 Q01959 4/20 0.73
▸ OPRM1 P35372 3/20 0.73
▸ ACHE P22303 1/20 0.59
▸ SETD7 Q8WTS6 5/20 0.54
▸ DRD2 P14416 5/20 0.53
▸ DRD4 P21917 3/20 0.53
▸ DRD5 P21918 3/20 0.53
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ SIGMAR1 Q99720 2/20 0.51

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
SCHEMBL13663060 0.86 DRD1 (0.73) DRD1DRD3CHRM2ADRA2ACHRM1
Setiptiline SCHEMBL29414110 0.84 DRD1 (1.00) DRD1DRD3CHRM2ADRA2ACHRM1
Setiptiline SCHEMBL211362 0.84 DRD1 (1.00) DRD1DRD3CHRM2ADRA2ACHRM1
SCHEMBL10728179 0.80 DRD1 (0.86) DRD1DRD3CHRM2ADRA2ACHRM1
SCHEMBL12859693 0.79 SIGMAR1 (0.58) DRD1DRD3CHRM2ADRA2ACHRM1
SCHEMBL13921290 0.77 SETD7 (0.82) DRD1DRD3CHRM2ADRA2ACHRM1
SCHEMBL9306818 0.76 SIGMAR1 (0.64) DRD1DRD3CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL9308470 0.75 SIGMAR1 (0.67) DRD1DRD3CHRM2ADRA2ACHRM1
Setiptiline SCHEMBL29396748 0.73 DRD1 (0.76) DRD1DRD3CHRM2ADRA2ACHRM1
Setiptiline SCHEMBL623015 0.73 DRD1 (0.76) DRD1DRD3CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 — — US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 — — 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB DRD1 4397/4885DRD3 4559/4885CHRM2 4374/4885

“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.

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