SCHEMBL29619059

SCHEMBL29619059

CC(=O)N1CCN(CCOc2ccc(NC(=O)C3CC3)cc2-c2c(C)noc2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.52
HTR2C P28335 11/20 0.52
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 1/20 0.44
QPCT Q16769 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29619101 0.91 HTR2A (0.49) HTR2AHTR2CBRD4BRD2BRD3
SCHEMBL29619051 0.91 HTR2A (0.51) HTR2AHTR2C
SCHEMBL29619153 0.90 HTR2A (0.51) HTR2AHTR2CKCNH2BRD4BRD2
SCHEMBL29619056 0.90 HTR2A (0.53) HTR2AHTR2CBRD4BRD2BRD3
SCHEMBL31677855 0.89 HTR2A (0.52) HTR2AHTR2CKCNH2ALDH1A1QPCT
SCHEMBL29619130 0.88 HTR2A (0.55) HTR2AHTR2CBRD4BRD2BRD3
SCHEMBL29619157 0.87 PDE5A (0.42) HTR2AHTR2CBRD4BRD2BRD3
SCHEMBL29619047 0.87 HTR2A (0.43) HTR2AHTR2CBRD4BRD2BRD3
SCHEMBL29619116 0.86 HTR2A (0.48) HTR2AHTR2CBRD4BRD2BRD3
SCHEMBL29619084 0.86 HTR2A (0.48) HTR2AHTR2CBRD4BRD2BRD3

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-20240376090-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERED RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2024-11-14 US disclosed
EP-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 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-20240376090-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERED RELATED THERETO HTR2A, HTR5A, HTR1A HTR2A 1/4885HTR2C 4/4885KCNH2 3434/4885

“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.