SCHEMBL29619099

SCHEMBL29619099

Cc1cnsc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)noc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 1/20 0.36
BRD4 O60885 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
CREBBP Q92793 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA5 P30532 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
GABRA5 P31644 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL29619048 0.88 CRACR2A (0.38) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619164 0.88 CRACR2A (0.38) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619173 0.87 RAB9A (0.39) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619123 0.86 CREBBP (0.37) CHRNB2CHRNA4BRD4CYP3A4CYP2C9
SCHEMBL29619172 0.86 HTT (0.37) CHRNB2CHRNA4BRD4CYP3A4CYP2C9
SCHEMBL29619088 0.85 RAB9A (0.42) CHRNB2CHRNA4BRD4CYP3A4CYP2C9
SCHEMBL31199048 0.85 LMNA (0.41) CHRNB2CHRNA4CREBBP
SCHEMBL29619097 0.85 IRAK4 (0.38) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619137 0.84 CREBBP (0.39) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619060 0.84 CHRNB2 (0.40) CHRNB2CHRNA4BRD4CYP3A4CYP2C9

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 105/4885BRD4 3890/4885

“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.