SCHEMBL25545435

SCHEMBL25545435

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 12/20 0.65
▸ HTR2C P28335 3/20 0.65
▸ ADRB1 P08588 2/20 0.65
▸ HTR1A P08908 2/20 0.65
▸ DRD2 P14416 2/20 0.65
▸ HRH1 P35367 2/20 0.65
▸ DRD3 P35462 2/20 0.65
▸ HTR2B P41595 2/20 0.65
▸ HTR6 P50406 2/20 0.65
▸ ADRB2 P07550 1/20 0.65
▸ DRD4 P21917 1/20 0.65
▸ DRD5 P21918 1/20 0.65
▸ HTR1D P28221 1/20 0.65
▸ HTR1E P28566 1/20 0.65
▸ HTR7 P34969 1/20 0.65
▸ HTR5A P47898 1/20 0.65
▸ MEN1 O00255 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ MAPT P10636 3/20 0.62

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
SCHEMBL30321010 1.00 HTR2A (0.65) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL25545392 0.90 HTR2A (0.69) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL30321037 0.90 HTR2A (0.69) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL25545417 0.89 KDM4E (0.69) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL30321017 0.89 KDM4E (0.69) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL25545430 0.87 HTR2A (0.70) HTR2AHTR2CADRB1HTR1ADRD2
Lysergide SCHEMBL28081619 0.82 HTR2A (0.91) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL30886877 0.82 HTR2A (0.80) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL2469887 0.82 HTR2A (0.80) HTR2AHTR2CADRB1HTR1ADRD2
SCHEMBL30298949 0.81 HTR2A (0.66) HTR2AHTR2CADRB1HTR1ADRD2

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 6 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-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-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
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 62/4885HTR2C 116/4885ADRB1 12/4885
US-11787806-B2 Ergoline analogues ERG, ADRA2C, ADRB2 HTR2A 62/4885HTR2C 116/4885ADRB1 12/4885
US-20230167112-A1 ERGOLINE ANALOGUES ERG, ADRA2C, ADRB2 HTR2A 62/4885HTR2C 116/4885ADRB1 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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