SCHEMBL29619080

SCHEMBL29619080

CO[C@H]1CCN(CCOc2ccc(NC(=O)C3CC3)cc2-c2c(C)noc2C)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.49
HTR2C P28335 8/20 0.49
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE5A O76074 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL29619079 1.00 HTR2A (0.49) HTR2AHTR2CMAPTLMNASMN1; SMN2
SCHEMBL29619130 0.95 HTR2A (0.55) HTR2AHTR2CMAPTLMNASMN1; SMN2
SCHEMBL29619116 0.90 HTR2A (0.48) HTR2AHTR2CMAPTLMNASMN1; SMN2
SCHEMBL29619084 0.90 HTR2A (0.48) HTR2AHTR2CMAPTLMNASMN1; SMN2
SCHEMBL31677857 0.89 HTR2A (0.49) HTR2AHTR2CPDE5A
SCHEMBL31677996 0.89 HTR2A (0.49) HTR2AHTR2CPDE5A
SCHEMBL29619056 0.88 HTR2A (0.53) HTR2AHTR2CMAPTLMNASMN1; SMN2
SCHEMBL29619101 0.88 HTR2A (0.49) HTR2AHTR2CBRD4BRD2BRD3
SCHEMBL29619051 0.88 HTR2A (0.51) HTR2AHTR2C
SCHEMBL29619000 0.86 MAPT (0.45) HTR2AHTR2CMAPTLMNASMN1; SMN2

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 4/4885MAPT 1759/4885

“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.