SCHEMBL29619050

SCHEMBL29619050

Cc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC[C@H]1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA5 P30532 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
GABRA5 P31644 1/20 0.38
BRD4 O60885 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRD2 P25440 1/20 0.37

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
SCHEMBL29619060 1.00 CHRNB2 (0.40) CHRNB2CHRNA4POLBMAPTLMNA
SCHEMBL24398568 0.97 CHRNB2 (0.43) CHRNB2CHRNA4POLBMAPTLMNA
SCHEMBL29619133 0.97 CHRNB2 (0.43) CHRNB2CHRNA4POLBMAPTLMNA
SCHEMBL29619058 0.93 MAPT (0.42) CHRNB2POLBMAPTLMNASMN1; SMN2
SCHEMBL29619108 0.90 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619159 0.90 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619072 0.90 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29619134 0.88 ABL1 (0.40) POLBMAPTLMNASMN1; SMN2GABRA5
SCHEMBL29619181 0.88 ABL1 (0.40) POLBMAPTLMNASMN1; SMN2GABRA5
SCHEMBL31199048 0.87 LMNA (0.41) CHRNB2CHRNA4MAPTLMNAALDH1A1

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 105/4885POLB 4123/4885

“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.