SCHEMBL29619170

SCHEMBL29619170

COc1ccc(CC(=O)Nc2ccc(OC[C@H]3CCCCN3)c(-c3c(C)noc3C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.44
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 3/20 0.42
TP53 P04637 1/20 0.42
CDK5 Q00535 2/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
ROCK2 O75116 1/20 0.41
HPGD P15428 3/20 0.41
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HTT P42858 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL29619103 0.92 TAS2R8 (0.47) TAS2R8LMNAMAPTPOLBCDK2
SCHEMBL29619053 0.91 KHK (0.43) TAS2R8KDM4EKMT2AHSD17B10MEN1
SCHEMBL29619128 0.86 KHK (0.36) TAS2R8LMNASMN1; SMN2
SCHEMBL29619194 0.86 MEN1 (0.42) KMT2AMAPTROCK2MEN1FFAR1
SCHEMBL29619015 0.85 HTR2A (0.37) TAS2R8LMNASMN1; SMN2ROCK2MET
SCHEMBL29619039 0.85 CHRNB4 (0.37) ALDH1A1METAXL
SCHEMBL29619060 0.84 CHRNB2 (0.40) TAS2R8KDM4ELMNASMN1; SMN2MAPT
SCHEMBL29619050 0.84 CHRNB2 (0.40) TAS2R8KDM4ELMNASMN1; SMN2MAPT
SCHEMBL29619112 0.84 CHRNB2 (0.36) LMNASMN1; SMN2CDK2ALDH1A1
SCHEMBL29619102 0.84 MET (0.37) ALDH1A1METAXL

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 TAS2R8 967/4885KDM4E 3783/4885LMNA 2981/4885

“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.