SCHEMBL22990964

SCHEMBL22990964

O=C(N[C@H]1CC[C@H](CCN2CCC(c3nccn3-c3ccccn3)CC2)CC1)c1cccc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 20/20 1.00
▸ DRD2 P14416 15/20 0.66
▸ HTR2A P28223 5/20 0.60
▸ HTR1A P08908 2/20 0.58
▸ DRD4 P21917 2/20 0.58
▸ HTR2C P28335 2/20 0.58
▸ HTR2B P41595 2/20 0.58

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
SCHEMBL22990979 0.79 DRD3 (1.00) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL22990956 0.78 DRD3 (1.00) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL22991034 0.78 DRD3 (1.00) DRD3DRD2HTR2A
SCHEMBL22990901 0.78 DRD3 (1.00) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21040985 0.77 DRD3 (0.75) DRD3DRD2HTR2A
SCHEMBL21041466 0.77 DRD3 (0.64) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21040963 0.76 DRD3 (1.00) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL22990972 0.76 DRD3 (1.00) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL21040623 0.76 DRD3 (0.64) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL22892399 0.76 DRD3 (0.81) DRD3DRD2HTR2AHTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047315-A1 CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-02-18 — — 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-20210047315-A1 CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT DRD3, DRD2, DRD1 DRD3 1/4885DRD2 2/4885HTR2A 324/4885

“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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