SCHEMBL29619087

SCHEMBL29619087

Cc1noc(C)c1-c1cc(NC(=O)c2cnn(C)c2C)ccc1OC[C@H]1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
AKR1C3 P42330 1/20 0.35
BRD4 O60885 2/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 1/20 0.35
CREBBP Q92793 1/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA5 P30532 1/20 0.35
HTR2A P28223 1/20 0.34

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
SCHEMBL29619129 0.89 BRD4 (0.36) RAB9AIRAK4BRD4BRD2BRD3
SCHEMBL29619090 0.88 HTR2A (0.36) CHRNB2CHRNA4CREBBPHTR2A
SCHEMBL29619088 0.88 RAB9A (0.42) NPC1RAB9ASMN1; SMN2IRAK4AKR1C3
SCHEMBL29619093 0.87 CHRNB2 (0.36) IRAK4BRD4BRD2BRD3CHRNB2
SCHEMBL29619002 0.86 CHRNB2 (0.37) IRAK4AKR1C3BRD4BRD2BRD3
SCHEMBL29619132 0.85 TAS2R8 (0.43) NPC1RAB9ABRD4BRD2BRD3
SCHEMBL29619064 0.85 AKR1C3 (0.36) IRAK4AKR1C3BRD4BRD2BRD3
SCHEMBL31199048 0.84 LMNA (0.41) AKR1C3CHRNB2CHRNA4CREBBPHTR2A
SCHEMBL29619172 0.84 HTT (0.37) IRAK4BRD4BRD2BRD3CYP3A4
SCHEMBL29619137 0.83 CREBBP (0.39) IRAK4CHRNB2CHRNA4CREBBPCHRNB4

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 NPC1 2454/4885RAB9A 1623/4885SMN1; SMN2 2192/4885

“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.