SCHEMBL25545361

SCHEMBL25545361

CCCCN(C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.72
▸ ADRB2 P07550 1/20 0.72
▸ ADRB1 P08588 1/20 0.72
▸ HTR1A P08908 1/20 0.72
▸ DRD2 P14416 1/20 0.72
▸ DRD4 P21917 1/20 0.72
▸ DRD5 P21918 1/20 0.72
▸ HTR1D P28221 1/20 0.72
▸ HTR2C P28335 1/20 0.72
▸ HTR1E P28566 1/20 0.72
▸ HTR7 P34969 1/20 0.72
▸ HRH1 P35367 1/20 0.72
▸ DRD3 P35462 1/20 0.72
▸ HTR2B P41595 1/20 0.72
▸ HTR5A P47898 1/20 0.72
▸ HTR6 P50406 1/20 0.72

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
SCHEMBL25545356 0.97 HTR2A (0.71) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL30298978 0.97 HTR2A (0.71) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL30886886 0.91 HTR2A (0.80) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL20970933 0.91 HTR2A (0.80) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL30886892 0.91 HTR2A (0.80) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL25545362 0.89 HTR2A (0.75) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL29408782 0.87 HTR2A (0.78) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL26265021 0.87 HTR2A (0.78) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL25545367 0.86 HTR2A (0.74) HTR2AADRB2ADRB1HTR1ADRD2
SCHEMBL1884075 0.86 HTR2A (0.77) HTR2AADRB2ADRB1HTR1ADRD2

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-11787806-B2 Ergoline analogues Beckley Psytech Limited (GB) 2023-10-17 — — US disclosed
US-11697651-B2 Ergoline analogues Beckley Psytech Limited (GB) 2023-07-11 — — US disclosed
US-20230167112-A1 ERGOLINE ANALOGUES Beckley Psytech Limited (GB) 2023-06-01 — — 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 (3 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-11697651-B2 Ergoline analogues ERG, ADRA2C, ADRB2 HTR2A 62/4885ADRB2 3/4885ADRB1 12/4885
US-11787806-B2 Ergoline analogues ERG, ADRA2C, ADRB2 HTR2A 62/4885ADRB2 3/4885ADRB1 12/4885
US-20230167112-A1 ERGOLINE ANALOGUES ERG, ADRA2C, ADRB2 HTR2A 62/4885ADRB2 3/4885ADRB1 12/4885

“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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