SCHEMBL29619039

SCHEMBL29619039

COC1(CC(=O)Nc2ccc(OC[C@H]3CCCCN3)c(-c3c(C)noc3C)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA5 P30532 1/20 0.36
KHK P50053 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL29619102 0.98 MET (0.37) CHRNB4CHRNA3METAXLCHRNB2
SCHEMBL29619029 0.86 MET (0.40) CHRNB4CHRNA3METAXLCHRNB2
SCHEMBL29619142 0.86 MET (0.39) CHRNB4CHRNA3METAXLCHRNB2
SCHEMBL29619053 0.85 KHK (0.43) CHRNB2CHRNA4KHKSLC6A2ALDH1A1
SCHEMBL29619060 0.85 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL29619050 0.85 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL29619170 0.85 TAS2R8 (0.44) METAXLALDH1A1
SCHEMBL29619021 0.85 MET (0.39) CHRNB4CHRNA3METAXLCHRNB2
SCHEMBL29619112 0.83 CHRNB2 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL31199048 0.83 LMNA (0.41) CHRNB2CHRNA4SLC6A2ALDH1A1

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 CHRNB4 304/4885CHRNA3 95/4885MET 4151/4885

“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.