SCHEMBL29619112

SCHEMBL29619112

Cc1ncsc1CC(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)noc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA5 P30532 1/20 0.36
KHK P50053 1/20 0.35
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL29619164 0.88 CRACR2A (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619175 0.88 GRM1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619183 0.88 ADORA2A (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619053 0.86 KHK (0.43) CHRNB2CHRNA4KHKSLC6A2HRH2
SCHEMBL29619046 0.86 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619128 0.85 KHK (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619050 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619060 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619170 0.84 TAS2R8 (0.44) CDK2LMNASMN1; SMN2ALDH1A1
SCHEMBL29619039 0.83 CHRNB4 (0.37) 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 CHRNB2 144/4885CHRNA4 105/4885CHRNB4 304/4885

“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.