SCHEMBL29619183

SCHEMBL29619183

Cc1noc(C)c1-c1cc(NC(=O)Cc2nccs2)ccc1OC[C@H]1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA5 P30532 1/20 0.36
KHK P50053 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CREBBP Q92793 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
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
SCHEMBL29619046 0.88 CHRNB2 (0.38) ADORA2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29619112 0.88 CHRNB2 (0.36) ADORA2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29619053 0.86 KHK (0.43) CHRNB2CHRNA4KHKMEN1KMT2A
SCHEMBL29619128 0.85 KHK (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619060 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619050 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619170 0.84 TAS2R8 (0.44) MEN1HPGDKMT2AMETAXL
SCHEMBL29619164 0.83 CRACR2A (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619039 0.83 CHRNB4 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619137 0.83 CREBBP (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5

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 ADORA2A 60/4885CHRNB2 144/4885CHRNA4 105/4885

“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.