SCHEMBL21040766

SCHEMBL21040766

O=C(N[C@H]1CC[C@H](CCN2CCc3sc(OCC(F)F)nc3C2)CC1)c1cnnc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 20/20 0.66
▸ DRD2 P14416 14/20 0.65

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
SCHEMBL21040628 0.90 DRD3 (0.75) DRD3DRD2
SCHEMBL21041489 0.88 DRD3 (0.83) DRD3DRD2
SCHEMBL21040982 0.85 DRD3 (0.68) DRD3DRD2
SCHEMBL21041694 0.84 DRD3 (0.69) DRD3DRD2
SCHEMBL21042447 0.84 DRD3 (0.91) DRD3DRD2
SCHEMBL21041497 0.83 DRD3 (0.82) DRD3DRD2
SCHEMBL21042256 0.83 DRD3 (0.73) DRD3DRD2
SCHEMBL21042285 0.82 DRD3 (0.68) DRD3DRD2
SCHEMBL21042394 0.82 DRD3 (0.75) DRD3DRD2
SCHEMBL21041779 0.82 DRD3 (0.79) DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495363-B1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO (JP) 2023-08-23 — — EP disclosed
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2022-05-31 — — US disclosed
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-01-14 — — US disclosed
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2020-12-22 — — US disclosed
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2019-05-30 — — 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 (4 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-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 DRD3 1/4885DRD2 3/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 DRD3 1/4885DRD2 3/4885
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 DRD3 1/4885DRD2 3/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 DRD3 1/4885DRD2 3/4885

“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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