SCHEMBL29619097

SCHEMBL29619097

Cc1nc(C(C)C)sc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)noc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.38
CHRNB2 P17787 2/20 0.35
CREBBP Q92793 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PPID Q08752 1/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA5 P30532 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL29619173 0.92 RAB9A (0.39) IRAK4CHRNB2CREBBPCHRNA4KDM4E
SCHEMBL29619164 0.86 CRACR2A (0.38) IRAK4CHRNB2CREBBPCHRNA4CHRNB4
SCHEMBL29619048 0.85 CRACR2A (0.38) CHRNB2CREBBPCHRNA4CHRNB4CHRNA3
SCHEMBL29619081 0.85 CHRNB2 (0.36) IRAK4CHRNB2CREBBPCHRNA4MAPT
SCHEMBL29619099 0.85 CHRNB2 (0.36) IRAK4CHRNB2CREBBPCHRNA4CHRNB4
SCHEMBL29619185 0.84 ALDH1A1 (0.40) IRAK4CHRNB2CREBBPCHRNA4MAPT
SCHEMBL31199048 0.84 LMNA (0.41) CHRNB2CREBBPCHRNA4MAPT
SCHEMBL29619127 0.83 HTT (0.37) IRAK4CHRNB2CREBBPCHRNA4CHRNB4
SCHEMBL29619137 0.83 CREBBP (0.39) IRAK4CHRNB2CREBBPCHRNA4CHRNB4
SCHEMBL29619050 0.82 CHRNB2 (0.40) CHRNB2CHRNA4KDM4EMAPTSMN1; SMN2

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 IRAK4 4239/4885CHRNB2 144/4885CREBBP 2282/4885

“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.