SCHEMBL26101730

SCHEMBL26101730

CC(=O)CN(C)C1Cc2c[nH]c3cccc(c23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.44
HTR2C P28335 4/20 0.44
HTR1A P08908 3/20 0.44
HTR2B P41595 3/20 0.44
HTR6 P50406 3/20 0.44
HTR7 P34969 2/20 0.44
DRD3 P35462 3/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
HRH1 P35367 2/20 0.42
DRD5 P21918 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1E P28566 1/20 0.42
HTR5A P47898 1/20 0.42
PARP1 P09874 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP2D6 P10635 5/20 0.41

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
SCHEMBL26105691 0.80 PARP1 (0.41) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL30392698 0.80 PARP1 (0.41) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL21510708 0.70 PARP1 (0.49) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL6311706 0.69 PARP1 (0.48) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL6307694 0.67 HTR2A (0.43) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL22680195 0.66 HTR1A (0.39) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL8798234 0.65 PRKCD (0.58) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL9483531 0.65 PARP1 (0.54) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL18086991 0.64 KDM4E (0.53) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL8798488 0.63 PARP1 (0.44) HTR2AHTR2CHTR1AHTR2BHTR6

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
EP-4423084-A1 ERGOLINE-DERIVED AGONISTS OF THE 5-HT2A RECEPTOR Diamond Therapeutics Inc. (CA) 2024-09-04 EP disclosed
US-20240279226-A1 ERGOLINE-DERIVED AGONISTS OF THE 5-HT2A RECEPTOR DIAMOND THERAPEUTICS INC. (CA) 2024-08-22 US disclosed
WO-2023073423-A1 ERGOLINE-DERIVED AGONISTS OF THE 5-HT2A RECEPTOR DIAMOND THERAPEUTICS INC. (CA) 2023-05-04 WO 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-20240279226-A1 ERGOLINE-DERIVED AGONISTS OF THE 5-HT2A RECEPTOR HTR2A, HTR2B, HTR2C HTR2A 1/4885HTR2C 3/4885HTR1A 4/4885

“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.