SCHEMBL21041406

SCHEMBL21041406

CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccc5ncccc45)CC3)C[C@H]2C1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 20/20 0.74
▸ DRD2 P14416 12/20 0.74
▸ HTR1A P08908 2/20 0.54
▸ DRD4 P21917 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ HTR2C P28335 2/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ DRD1 P21728 1/20 0.54

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
SCHEMBL21040987 0.86 DRD3 (0.81) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL22892399 0.86 DRD3 (0.81) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21041441 0.86 DRD3 (0.78) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL22892397 0.86 DRD3 (0.78) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21040963 0.85 DRD3 (1.00) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21040985 0.84 DRD3 (0.75) DRD3DRD2HTR2A
SCHEMBL21041466 0.76 DRD3 (0.64) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21041584 0.76 DRD3 (0.61) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21041352 0.75 DRD3 (0.64) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21040623 0.75 DRD3 (0.64) DRD3DRD2HTR1ADRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885HTR1A 164/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 DRD3 1/4885DRD2 3/4885HTR1A 164/4885
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 DRD3 1/4885DRD2 3/4885HTR1A 164/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 DRD3 1/4885DRD2 3/4885HTR1A 164/4885

“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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