SCHEMBL29619132

SCHEMBL29619132

Cc1noc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OC[C@H]1CCCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.43
IMPDH2 P12268 1/20 0.40
ROCK2 O75116 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 1/20 0.38
CREBBP Q92793 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
PARP1 P09874 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KMT2A Q03164 1/20 0.36
GPX4 P36969 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 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
SCHEMBL31677851 0.90 CHRNB2 (0.40) IMPDH2ROCK2CHRNB2CHRNA4HRH3
SCHEMBL31199048 0.87 LMNA (0.41) CHRNB2CHRNA4CREBBP
SCHEMBL29619135 0.86 NAMPT (0.39) TAS2R8CHRNB2CHRNA4CREBBPCHRNA5
SCHEMBL29619002 0.86 CHRNB2 (0.37) CHRNB2CHRNA4CREBBPCHRNA5CHRNB4
SCHEMBL29619093 0.85 CHRNB2 (0.36) CHRNB2CHRNA4CREBBPCHRNA5CHRNB4
SCHEMBL29619137 0.85 CREBBP (0.39) CHRNB2CHRNA4CREBBPCHRNA5CHRNB4
SCHEMBL29619060 0.84 CHRNB2 (0.40) TAS2R8CHRNB2CHRNA4CHRNA5CHRNB4
SCHEMBL29619050 0.84 CHRNB2 (0.40) TAS2R8CHRNB2CHRNA4CHRNA5CHRNB4
SCHEMBL29619088 0.84 RAB9A (0.42) CHRNB2CHRNA4CREBBPCHRNA5CHRNB4
SCHEMBL29619044 0.84 KDM4E (0.40) CHRNB2CHRNA4CREBBPCHRNA5CHRNB4

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 TAS2R8 967/4885IMPDH2 510/4885ROCK2 2167/4885

“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.