SCHEMBL29619088

SCHEMBL29619088

Cc1noc(C)c1-c1cc(NC(=O)c2cnoc2C)ccc1OC[C@H]1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CRACR2A Q9BSW2 3/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA5 P30532 1/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
THRB P10828 1/20 0.38
PIM1 P11309 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL31677917 0.92 RAB9A (0.42) RAB9ANPC1CRACR2ACHRNB2CHRNB4
SCHEMBL29619172 0.90 HTT (0.37) CHRNB2CHRNB4CHRNA3CHRNA5CYP3A4
SCHEMBL29619002 0.89 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA5CYP3A4
SCHEMBL29619087 0.88 NPC1 (0.43) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL29619064 0.87 AKR1C3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA5CYP3A4
SCHEMBL29619061 0.87 CREBBP (0.37) CHRNB2CHRNB4CHRNA3CHRNA5CYP3A4
SCHEMBL31199048 0.87 LMNA (0.41) CHRNB2LMNASLC6A2HTR2ASLC6A3
SCHEMBL29619137 0.86 CREBBP (0.39) CHRNB2CHRNB4CHRNA3CHRNA5HTT
SCHEMBL29619050 0.86 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA5LMNA
SCHEMBL29619060 0.86 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA5LMNA

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 RAB9A 1623/4885NPC1 2454/4885CRACR2A 3527/4885

“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.