SCHEMBL26908473

SCHEMBL26908473

O=C(CCCN1CCN2c3cccc4[nH]cc(c34)CC2C1)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.66
▸ DRD3 P35462 3/20 0.61
▸ HTR2A P28223 2/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HTR2C P28335 1/20 0.49

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
SCHEMBL26908474 0.84 DRD2 (0.68) DRD2DRD3
SCHEMBL26908456 0.82 DRD3 (0.61) DRD2DRD3HTR2ASLC6A4HTR2C
SCHEMBL29323243 0.82 DRD3 (0.61) DRD2DRD3HTR2ASLC6A4HTR2C
SCHEMBL30681700 0.81 DRD2 (0.80) DRD2DRD3
SCHEMBL2228622 0.80 DRD2 (1.00) DRD2DRD3
SCHEMBL29810747 0.79 DRD2 (0.79) DRD2DRD3
SCHEMBL2229736 0.77 DRD2 (1.00) DRD2DRD3HTR2AHTR2C
SCHEMBL2230504 0.77 DRD2 (1.00) DRD2DRD3HTR2AHTR2C
SCHEMBL29322744 0.76 DRD2 (1.00) DRD2
SCHEMBL2229717 0.72 DRD2 (1.00) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124456-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2024-04-18 — — US disclosed
EP-4286384-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ShanghaiTech University (CN) 2023-12-06 — — EP disclosed
CN-114835709-A Aza-ergoline derivative and preparation method and application thereof 上海科技大学 2022-08-02 — — CN 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-20240124456-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ERG, CHRNA7, CHRNA5 DRD2 13/4885DRD3 125/4885HTR2A 223/4885

“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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