SCHEMBL17037964

SCHEMBL17037964

CC1=CC(C)=[N+]2C1=C(/C=C/c1cc3cc4c(cc3oc1=O)C#CCCSC4)c1c(C)cc(C)n1[B-]2(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ P4HB P07237 1/20 0.31

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
SCHEMBL17037947 0.88 DRD2 (0.33) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037950 0.88 DRD2 (0.32) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037946 0.88 DRD2 (0.31) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037951 0.86 DRD2 (0.31) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037952 0.86 DRD2 (0.31) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037954 0.84 DRD2 (0.31) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037965 0.84 DRD2 (0.31) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037957 0.83 DRD2 (0.31) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037955 0.82 DRD2 (0.31) DRD2DRD1DRD5HRH1DRD3
SCHEMBL17037931 0.81 — —

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-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 — — US disclosed
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-08-27 — — 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-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 DRD2 4423/4885DRD1 4568/4885DRD5 3651/4885

“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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