SCHEMBL29619002

SCHEMBL29619002

Cc1nocc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)noc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 1/20 0.37
AKR1C3 P42330 3/20 0.37
CREBBP Q92793 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA5 P30532 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
BRD4 O60885 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL31678090 0.91 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619088 0.89 RAB9A (0.42) CHRNB2CHRNA4AKR1C3CREBBPCHRNB4
SCHEMBL29619064 0.87 AKR1C3 (0.36) CHRNB2CHRNA4AKR1C3CREBBPCHRNB4
SCHEMBL29619061 0.87 CREBBP (0.37) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL31199048 0.87 LMNA (0.41) CHRNB2CHRNA4AKR1C3CREBBPSLC6A2
SCHEMBL29619137 0.86 CREBBP (0.39) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619050 0.86 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619060 0.86 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619132 0.86 TAS2R8 (0.43) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619068 0.85 MET (0.42) CREBBPHTR2A

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 CHRNB2 144/4885CHRNA4 105/4885AKR1C3 2679/4885

“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.