SCHEMBL29619173

SCHEMBL29619173

Cc1nc(C)c(C(=O)Nc2ccc(OC[C@H]3CCCCN3)c(-c3c(C)noc3C)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.38
PDE4B Q07343 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CREBBP Q92793 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CHRNA5 P30532 1/20 0.36
F10 P00742 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 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
SCHEMBL29619097 0.92 IRAK4 (0.38) RAB9ASMN1; SMN2PDE4BCHRNB2CHRNA4
SCHEMBL29619081 0.90 CHRNB2 (0.36) PDE4BCHRNB2CHRNA4CREBBPCHRNB4
SCHEMBL31677728 0.90 RAB9A (0.41) RAB9ASMN1; SMN2NPC1TP53RECQL
SCHEMBL29619164 0.88 CRACR2A (0.38) CHRNB2CHRNA4KMT2ACREBBPCHRNB4
SCHEMBL29619048 0.88 CRACR2A (0.38) CHRNB2CHRNA4MEN1KMT2ACREBBP
SCHEMBL29619099 0.87 CHRNB2 (0.36) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619185 0.86 ALDH1A1 (0.40) SMN1; SMN2CHRNB2CHRNA4MEN1KMT2A
SCHEMBL31199048 0.85 LMNA (0.41) CHRNB2CHRNA4CREBBPMAPT
SCHEMBL29619127 0.85 HTT (0.37) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3
SCHEMBL29619137 0.85 CREBBP (0.39) CHRNB2CHRNA4CREBBPCHRNB4CHRNA3

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

“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.